data_2mxu_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 2mxu _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.468 0.175 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.727 0.299 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.41 ' C ' ' HZ3' ' H' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.41 ' HZ3' ' C ' ' G' ' 42' ' ' ALA . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 110.947 -0.02 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 120.14 0.019 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.492 0.187 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.215 0.531 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.148 0.499 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HZ3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.402 ' HZ3' ' C ' ' C' ' 42' ' ' ALA . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.362 0.125 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.452 ' H ' HD13 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.452 HD13 ' H ' ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.525 ' H ' HG11 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.525 HG11 ' H ' ' K' ' 39' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.649 0.262 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.706 0.288 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 120.65 0.262 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.323 0.106 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 120.867 0.365 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.034 0.445 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.469 ' H ' HD13 ' F' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.469 HD13 ' H ' ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.47 ' HE2' ' HB2' ' H' ' 16' ' ' LYS . 20.4 t-160 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.404 ' H ' HD13 ' H' ' 31' ' ' ILE . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.47 ' HB2' ' HE2' ' G' ' 14' ' ' HIS . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.404 HD13 ' H ' ' G' ' 31' ' ' ILE . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 116.288 1.958 . . . . 0.0 116.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.5 0.666 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.427 ' HZ2' ' C ' ' I' ' 42' ' ' ALA . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.427 ' C ' ' HZ2' ' H' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . 0.405 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.406 ' C ' ' HZ1' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.406 ' HZ1' ' C ' ' E' ' 42' ' ' ALA . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.444 ' C ' ' HZ3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.444 ' HZ3' ' C ' ' F' ' 42' ' ' ALA . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.411 ' C ' ' HZ3' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 120.415 0.15 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.411 ' HZ3' ' C ' ' J' ' 42' ' ' ALA . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.495 ' H ' HD12 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.55 0.942 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.495 HD12 ' H ' ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.594 -0.151 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -131.34 125.34 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.938 1.295 . . . . 0.0 109.652 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -121.68 143.28 49.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.108 1.363 . . . . 0.0 112.182 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -136.91 142.19 42.72 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.552 1.141 . . . . 0.0 113.729 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -134.03 134.45 42.42 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.52 1.928 . . . . 0.0 110.57 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.78 128.69 67.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' C ' ' HZ2' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.983 1.713 . . . . 0.0 111.981 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -128.21 130.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.77 1.228 . . . . 0.0 111.367 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -121.9 133.75 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 112.284 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -122.86 139.37 54.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.056 1.743 . . . . 0.0 112.423 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.1 130.27 37.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.251 1.42 . . . . 0.0 110.7 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' HZ2' ' C ' ' A' ' 42' ' ' ALA . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 t -132.68 128.22 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.679 1.192 . . . . 0.0 111.802 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -116.08 133.05 56.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.315 1.046 . . . . 0.0 111.831 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -123.22 143.81 49.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.5 1.92 . . . . 0.0 111.743 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -142.03 135.49 29.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 111.674 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.01 126.97 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.64 1.176 . . . . 0.0 111.245 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -113.77 127.89 56.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.186 0.994 . . . . 0.0 111.468 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -122.22 141.35 51.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.659 1.584 . . . . 0.0 112.165 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -138.19 127.68 24.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.36 1.464 . . . . 0.0 111.929 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.88 131.59 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.126 1.37 . . . . 0.0 110.197 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -126.04 127.57 46.06 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.667 1.187 . . . . 0.0 111.365 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -129.37 132.07 46.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.739 1.216 . . . . 0.0 112.688 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.41 133.32 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.404 1.082 . . . . 0.0 112.201 -173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -124.4 127.33 47.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.377 1.471 . . . . 0.0 111.605 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -130.81 134.21 46.64 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.675 1.19 . . . . 0.0 112.845 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 t -124.66 129.82 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.769 1.228 . . . . 0.0 110.775 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -122.46 128.65 51.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.862 1.265 . . . . 0.0 111.831 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -128.52 135.72 49.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.446 1.098 . . . . 0.0 112.782 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.91 -0.09 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.96 134.88 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.936 1.294 . . . . 0.0 110.939 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -130.8 129.69 42.73 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.712 1.205 . . . . 0.0 112.365 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -127.99 136.22 50.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -131.68 137.93 48.5 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.562 1.145 . . . . 0.0 113.421 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 63.4 t -127.96 131.31 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.783 1.233 . . . . 0.0 110.831 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -127.55 129.89 48.13 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.795 1.238 . . . . 0.0 112.249 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -129.07 121.04 27.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.051 1.341 . . . . 0.0 112.091 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.48 125.63 50.3 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.878 1.271 . . . . 0.0 112.138 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.26 127.9 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.579 1.152 . . . . 0.0 111.14 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -120.82 135.43 55.16 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.125 1.37 . . . . 0.0 111.824 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -126.28 140.14 52.76 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.674 1.19 . . . . 0.0 113.102 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -125.67 132.54 52.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.618 1.567 . . . . 0.0 112.467 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.83 133.36 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.385 1.074 . . . . 0.0 112.296 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -123.18 118.98 28.87 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.396 1.479 . . . . 0.0 112.84 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.8 140.83 46.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.473 1.509 . . . . 0.0 111.961 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -133.11 133.79 43.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.18 0.992 . . . . 0.0 113.036 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.12 111.79 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.722 2.809 . . . . 0.0 116.349 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.82 144.12 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.07 1.748 . . . . 0.0 110.567 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -132.29 150.2 52.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.228 1.011 . . . . 0.0 113.355 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -143.3 147.05 34.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.554 1.542 . . . . 0.0 112.041 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -138.63 138.09 37.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 58.43 85.8 0.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.186 2.994 . . . . 0.0 117.224 164.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.449 0.166 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -131.4 132.47 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.469 1.508 . . . . 0.0 109.929 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.7 139.35 41.89 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -140.58 133.82 29.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.877 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -141.9 132.96 26.11 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.756 1.222 . . . . 0.0 111.201 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.61 109.68 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' C ' ' HZ1' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.248 0.979 0 C-N-CA 125.219 1.408 . . . . 0.0 112.774 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.93 120.25 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.49 1.516 . . . . 0.0 109.067 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -128.09 122.13 31.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.062 . . . . 0.0 113.28 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -121.49 133.18 55.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.124 1.769 . . . . 0.0 111.013 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -145.16 110.82 5.38 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.17 0.988 . . . . 0.0 112.751 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 42' ' ' ALA . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.69 124.63 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.713 1.605 . . . . 0.0 110.148 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.69 125.8 36.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.111 1.364 . . . . 0.0 112.308 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -124.97 134.53 52.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.873 1.669 . . . . 0.0 110.695 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -147.92 127.81 13.54 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 t -123.16 125.86 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.904 1.682 . . . . 0.0 109.903 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -128.49 131.46 48.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.581 1.152 . . . . 0.0 112.839 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -129.28 120.56 25.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.874 1.67 . . . . 0.0 111.475 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -125.37 130.5 52.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.908 1.283 . . . . 0.0 113.129 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 111.172 0.064 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.94 124.19 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.54 1.536 . . . . 0.0 109.72 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -126.05 129.04 48.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.847 1.259 . . . . 0.0 112.661 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -125.15 123.53 39.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.949 1.7 . . . . 0.0 110.756 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.417 0.155 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.78 122.84 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.05 1.34 . . . . 0.0 109.87 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -123.53 128.59 49.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.955 1.302 . . . . 0.0 112.516 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -122.71 130.22 52.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.967 2.107 . . . . 0.0 110.338 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 120.514 0.197 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.81 117.05 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.709 1.604 . . . . 0.0 107.465 165.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -133.87 122.51 23.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.016 0.926 . . . . 0.0 113.275 -161.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -127.25 127.32 44.22 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 112.22 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.41 ' C ' ' HZ3' ' H' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.0 120.78 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.983 1.313 . . . . 0.0 109.622 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -128.62 129.12 45.46 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.86 1.264 . . . . 0.0 113.46 -172.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -129.4 127.68 41.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 111.779 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -134.0 123.2 24.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.688 1.195 . . . . 0.0 112.611 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.41 ' HZ3' ' C ' ' G' ' 42' ' ' ALA . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.29 124.9 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.29 1.436 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -133.48 129.56 37.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.854 1.262 . . . . 0.0 113.029 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -132.03 130.65 41.63 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.176 1.39 . . . . 0.0 111.793 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.35 129.73 33.87 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.527 1.131 . . . . 0.0 112.451 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -132.39 131.7 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.761 1.225 . . . . 0.0 110.139 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -136.4 129.09 30.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.353 1.061 . . . . 0.0 113.231 -171.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -131.41 128.76 40.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.593 1.557 . . . . 0.0 111.225 169.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -141.24 121.91 14.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.422 0.689 . . . . 0.0 112.759 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' L' ' 11' ' ' GLU . 3.3 mp0 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.65 123.33 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.704 1.202 . . . . 0.0 110.729 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -129.28 128.77 43.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.307 1.043 . . . . 0.0 113.186 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -135.54 124.95 24.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.478 1.511 . . . . 0.0 111.68 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -138.42 136.24 36.06 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt -122.21 118.47 28.68 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.609 1.564 . . . . 0.0 109.446 161.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' K' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.15 138.32 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.06 0.944 . . . . 0.0 112.258 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -138.04 136.42 36.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.478 1.111 . . . . 0.0 113.401 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 120.53 18.71 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.038 1.335 . . . . 0.0 108.713 162.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -145.61 144.02 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -167.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -128.69 126.09 39.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.686 1.594 . . . . 0.0 109.804 165.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -127.44 132.32 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.688 1.595 . . . . 0.0 110.621 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -126.84 142.9 51.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.641 1.176 . . . . 0.0 113.703 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -134.43 128.38 33.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.384 1.873 . . . . 0.0 110.739 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -139.05 129.61 25.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 112.323 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt -130.83 146.61 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 128.706 2.802 . . . . 0.0 117.253 172.063 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.51 0.195 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.77 130.71 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.337 1.455 . . . . 0.0 110.071 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.03 129.5 46.8 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.075 0.95 . . . . 0.0 111.965 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -131.98 126.2 33.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.217 1.807 . . . . 0.0 111.38 -172.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -136.76 120.92 17.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 113.786 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -137.57 125.83 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.604 1.562 . . . . 0.0 110.112 171.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -127.7 128.6 45.7 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.466 1.106 . . . . 0.0 112.63 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -126.33 121.22 31.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.852 1.661 . . . . 0.0 111.44 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.38 126.78 37.93 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.599 1.16 . . . . 0.0 113.23 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' C' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -130.24 128.89 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.876 1.271 . . . . 0.0 110.276 169.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -128.03 129.65 47.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.543 1.137 . . . . 0.0 113.156 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -120.37 121.5 38.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.757 1.223 . . . . 0.0 110.491 163.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -132.12 123.53 27.31 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.705 1.202 . . . . 0.0 111.846 -174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 134.61 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 110.793 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -132.81 135.69 45.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.215 1.406 . . . . 0.0 113.405 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -133.92 124.86 27.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.548 1.539 . . . . 0.0 110.947 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.219 0.057 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -124.78 126.01 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.638 1.175 . . . . 0.0 109.086 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -132.31 119.13 20.34 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.961 0.905 . . . . 0.0 112.933 -167.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -117.96 127.39 53.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.046 1.338 . . . . 0.0 111.016 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -127.48 129.42 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.163 1.385 . . . . 0.0 110.182 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -127.1 133.12 50.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.192 1.397 . . . . 0.0 113.287 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -125.95 120.75 31.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.068 1.747 . . . . 0.0 109.961 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 110.885 -0.042 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -117.3 120.55 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.914 1.286 . . . . 0.0 109.235 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -126.52 125.75 42.57 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.892 0.877 . . . . 0.0 113.254 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -118.54 127.23 53.43 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.616 1.567 . . . . 0.0 111.61 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -135.51 118.09 15.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.265 1.026 . . . . 0.0 113.706 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.755 0.312 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -121.14 125.44 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.043 1.337 . . . . 0.0 109.333 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -121.07 134.35 55.26 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.516 1.527 . . . . 0.0 112.082 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -127.73 126.69 42.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.25 1.42 . . . . 0.0 111.265 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -134.57 126.5 29.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.65 1.18 . . . . 0.0 112.633 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.676 0.274 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.62 124.0 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.189 1.396 . . . . 0.0 109.446 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.7 125.46 45.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.628 1.571 . . . . 0.0 112.657 -173.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -119.79 120.74 37.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.06 1.344 . . . . 0.0 111.103 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.11 133.44 53.6 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 113.398 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.666 0.27 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.6 135.91 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.696 1.598 . . . . 0.0 109.842 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -129.62 126.9 39.51 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.691 1.596 . . . . 0.0 112.666 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -124.36 120.8 33.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.431 1.492 . . . . 0.0 111.178 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -138.65 115.78 11.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.131 0.973 . . . . 0.0 112.345 -169.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -115.4 130.91 57.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.235 1.014 . . . . 0.0 111.632 172.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -133.62 133.28 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 126.46 1.904 . . . . 0.0 108.796 168.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -129.15 134.72 48.16 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.164 1.385 . . . . 0.0 112.436 -174.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.37 133.59 42.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.413 1.485 . . . . 0.0 111.962 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -140.73 133.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.108 1.363 . . . . 0.0 112.204 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -132.75 115.32 15.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 109.946 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -113.2 129.98 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.275 1.03 . . . . 0.0 110.673 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -135.78 138.91 43.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.042 0.937 . . . . 0.0 113.317 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -136.63 133.44 36.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.683 1.593 . . . . 0.0 111.114 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -139.06 122.03 16.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.409 1.084 . . . . 0.0 111.154 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.89 140.54 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.224 1.809 . . . . 0.0 110.81 171.759 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.69 134.7 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.352 0.978 . . . . 0.0 112.717 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -132.48 126.15 32.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.764 1.226 . . . . 0.0 112.856 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -132.95 127.94 35.35 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.917 1.287 . . . . 0.0 112.695 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -131.02 127.91 39.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.404 1.481 . . . . 0.0 112.743 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.56 127.87 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.526 1.13 . . . . 0.0 111.44 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -126.91 128.82 47.06 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.259 . . . . 0.0 111.908 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -134.07 129.49 36.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.381 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -134.87 114.84 12.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.902 1.281 . . . . 0.0 111.95 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -123.36 130.72 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.123 0.969 . . . . 0.0 111.819 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -129.11 123.42 32.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.606 1.562 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -137.28 125.18 22.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.244 1.018 . . . . 0.0 112.527 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.24 127.02 40.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.179 1.392 . . . . 0.0 112.186 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.86 132.73 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.908 . . . . 0.0 111.866 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -132.17 119.18 20.54 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.337 1.455 . . . . 0.0 111.423 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -128.68 128.62 44.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.265 . . . . 0.0 112.532 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -124.95 131.65 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.098 0.959 . . . . 0.0 111.357 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 125.75 32.67 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.151 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -125.7 126.96 45.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.205 1.402 . . . . 0.0 111.788 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.05 129.38 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.884 1.274 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -128.43 134.23 48.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.274 1.43 . . . . 0.0 113.431 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -124.25 124.44 42.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.523 1.529 . . . . 0.0 110.294 165.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -104.47 123.98 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.733 1.151 . . . . 0.0 112.165 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -120.43 124.36 45.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.135 1.374 . . . . 0.0 112.145 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -110.92 129.66 55.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.976 1.71 . . . . 0.0 110.309 168.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -135.2 128.41 31.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.461 1.104 . . . . 0.0 112.06 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.14 127.06 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.727 1.149 . . . . 0.0 111.593 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.51 127.62 44.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 112.199 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -116.91 130.64 56.83 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.407 1.483 . . . . 0.0 111.935 173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -131.88 107.64 8.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.752 1.221 . . . . 0.0 112.276 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -120.84 128.29 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.159 0.984 . . . . 0.0 113.564 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -125.21 131.28 53.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.153 1.781 . . . . 0.0 111.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -128.91 130.43 46.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.417 1.087 . . . . 0.0 111.641 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -134.33 125.71 28.17 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.677 -1.154 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.17 126.59 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.651 1.181 . . . . 0.0 112.577 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -126.21 136.97 53.48 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.011 2.124 . . . . 0.0 111.032 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -140.22 133.81 30.21 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.212 1.005 . . . . 0.0 112.796 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -132.78 125.46 30.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.397 1.479 . . . . 0.0 112.475 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -114.54 106.55 14.4 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.667 1.187 . . . . 0.0 109.412 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.77 137.0 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.3 140.46 46.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.788 2.035 . . . . 0.0 111.585 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -141.92 139.99 32.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.358 1.463 . . . . 0.0 111.195 171.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -145.23 130.47 18.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.126 1.37 . . . . 0.0 112.369 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -115.75 123.05 47.29 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.564 1.146 . . . . 0.0 108.811 163.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.347 0.118 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -128.47 132.41 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.493 1.517 . . . . 0.0 110.416 169.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -132.76 126.8 33.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.915 1.286 . . . . 0.0 110.465 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -139.1 136.99 35.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.513 1.125 . . . . 0.0 112.929 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.67 133.35 39.97 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.368 1.467 . . . . 0.0 112.378 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.95 132.6 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.102 1.761 . . . . 0.0 111.786 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.91 132.31 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.679 1.191 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.05 125.21 34.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.32 1.448 . . . . 0.0 111.616 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -134.67 131.34 37.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 112.377 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.63 124.45 22.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.181 0.992 . . . . 0.0 112.48 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.46 121.55 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.487 1.115 . . . . 0.0 110.482 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -128.74 129.39 45.67 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.548 1.139 . . . . 0.0 112.636 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -132.79 130.99 40.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.445 1.498 . . . . 0.0 112.392 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -131.77 127.68 37.25 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HZ3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.69 128.4 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.131 1.372 . . . . 0.0 110.477 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -127.73 121.0 29.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 111.476 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -131.17 132.59 44.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.21 1.004 . . . . 0.0 112.955 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -132.25 129.51 39.73 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.982 1.313 . . . . 0.0 111.793 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.402 ' HZ3' ' C ' ' C' ' 42' ' ' ALA . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.43 130.61 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.595 1.158 . . . . 0.0 110.834 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -129.16 130.44 46.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.791 1.237 . . . . 0.0 112.02 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -129.11 133.46 47.66 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 110.888 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 t -133.46 131.56 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.743 1.217 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -128.87 135.0 48.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.921 1.288 . . . . 0.0 112.816 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.3 145.13 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.51 129.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.723 1.209 . . . . 0.0 110.798 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -129.44 127.84 41.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.961 1.304 . . . . 0.0 112.402 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -124.39 126.28 45.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.507 1.123 . . . . 0.0 111.92 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.46 124.75 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.694 1.198 . . . . 0.0 109.478 170.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.15 127.11 40.74 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.379 1.071 . . . . 0.0 112.612 -169.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -118.81 128.77 54.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.295 1.438 . . . . 0.0 111.561 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -127.38 120.05 27.59 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.677 1.591 . . . . 0.0 110.719 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.83 129.13 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.478 1.111 . . . . 0.0 111.418 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -125.79 120.08 29.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.326 1.45 . . . . 0.0 112.12 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -113.94 128.09 56.25 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.233 1.413 . . . . 0.0 111.875 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.75 130.31 52.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.999 1.32 . . . . 0.0 112.196 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.452 ' H ' HD13 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -132.53 135.08 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.632 1.173 . . . . 0.0 112.306 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -123.52 129.9 51.89 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.679 1.592 . . . . 0.0 110.833 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -126.87 135.73 51.38 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.811 1.244 . . . . 0.0 112.487 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -126.3 128.75 47.62 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.512 1.525 . . . . 0.0 112.256 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.452 HD13 ' H ' ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 t -124.73 129.87 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.622 1.169 . . . . 0.0 112.165 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -115.87 117.52 30.43 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.009 1.323 . . . . 0.0 111.42 173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -113.2 139.07 49.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.624 1.17 . . . . 0.0 111.557 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -134.3 133.61 40.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.359 1.064 . . . . 0.0 113.001 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp 55.74 91.78 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.934 2.094 . . . . 0.0 114.719 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.525 ' H ' HG11 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.23 145.26 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.509 1.124 . . . . 0.0 111.379 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -135.8 153.65 51.46 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -143.29 144.19 32.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.845 1.258 . . . . 0.0 112.305 171.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -137.8 138.96 39.74 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.142 1.377 . . . . 0.0 112.58 -174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.05 70.98 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.412 1.885 . . . . 0.0 114.615 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.525 HG11 ' H ' ' K' ' 39' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -137.41 135.18 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 124.135 0.974 . . . . 0.0 112.495 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.81 137.05 52.48 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.969 1.308 . . . . 0.0 111.005 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -143.34 129.71 19.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.571 1.148 . . . . 0.0 112.464 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.37 1.468 . . . . 0.0 112.316 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.93 117.06 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.851 1.261 . . . . 0.0 112.047 -174.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -133.4 136.13 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.823 0.849 . . . . 0.0 112.613 -171.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -121.45 125.45 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.08 1.352 . . . . 0.0 112.012 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -124.13 129.71 51.31 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.805 1.642 . . . . 0.0 112.171 176.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -134.67 130.47 36.38 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.161 1.385 . . . . 0.0 111.593 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.44 138.08 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.386 0.993 . . . . 0.0 112.797 -170.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -123.36 133.12 54.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.558 1.543 . . . . 0.0 112.411 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.03 133.58 47.79 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.123 1.369 . . . . 0.0 112.533 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -135.42 102.56 5.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.618 1.567 . . . . 0.0 111.385 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.49 131.48 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 119.295 0.952 . . . . 0.0 111.362 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -126.0 123.04 37.6 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.501 1.52 . . . . 0.0 111.722 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -129.33 122.58 29.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.534 1.134 . . . . 0.0 112.768 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -123.6 127.05 47.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.467 1.507 . . . . 0.0 111.567 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.21 129.46 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.135 0.974 . . . . 0.0 110.954 -177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -126.77 125.67 42.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.063 1.345 . . . . 0.0 112.413 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -125.09 125.29 43.55 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.951 1.701 . . . . 0.0 110.9 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -115.66 123.65 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.672 1.189 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -125.42 132.26 52.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.129 1.371 . . . . 0.0 112.241 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -136.36 126.06 25.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.845 1.258 . . . . 0.0 111.992 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.25 123.47 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.089 0.956 . . . . 0.0 111.043 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -121.95 132.26 54.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.922 1.689 . . . . 0.0 111.945 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -131.68 128.09 38.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.07 1.348 . . . . 0.0 110.882 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -103.86 122.54 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.948 1.299 . . . . 0.0 109.263 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -133.02 124.71 28.18 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.717 1.207 . . . . 0.0 112.954 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.74 123.36 30.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.97 1.308 . . . . 0.0 111.858 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.57 134.48 54.53 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.258 1.423 . . . . 0.0 112.991 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -131.87 128.95 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.855 1.262 . . . . 0.0 110.996 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -130.76 129.73 42.85 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.103 1.361 . . . . 0.0 112.618 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -130.11 130.9 45.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.268 1.427 . . . . 0.0 111.23 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -140.4 112.83 7.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.059 0.944 . . . . 0.0 112.816 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.088 -0.006 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.19 132.96 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.824 1.25 . . . . 0.0 110.923 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -133.24 118.42 18.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.319 1.047 . . . . 0.0 112.518 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -113.36 130.99 56.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.634 1.174 . . . . 0.0 111.998 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.74 134.81 47.83 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.093 1.357 . . . . 0.0 113.355 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 119.77 -0.157 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 m -130.61 137.02 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.956 0.902 . . . . 0.0 110.854 164.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -137.17 117.16 13.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.836 0.854 . . . . 0.0 112.043 -175.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -111.91 122.79 48.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.483 1.513 . . . . 0.0 110.531 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.23 128.35 39.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.198 0.999 . . . . 0.0 113.25 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -125.74 114.73 19.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.539 1.536 . . . . 0.0 110.216 171.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.88 135.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 110.424 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.85 135.75 36.49 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -134.45 121.09 20.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.061 1.744 . . . . 0.0 109.921 176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -136.11 128.65 30.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.227 1.011 . . . . 0.0 113.331 -170.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -119.34 129.81 55.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.243 1.017 . . . . 0.0 109.932 163.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.34 133.95 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.557 1.543 . . . . 0.0 110.893 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -126.07 143.59 51.06 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 112.019 170.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -139.97 133.69 30.46 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.475 1.51 . . . . 0.0 112.386 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -145.3 152.89 40.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.79 125.86 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.844 1.658 . . . . 0.0 112.523 -175.403 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -122.68 134.42 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.15 1.78 . . . . 0.0 110.003 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.74 130.02 43.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.983 0.913 . . . . 0.0 111.49 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -130.6 120.94 24.74 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.086 1.354 . . . . 0.0 112.45 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -134.31 144.55 48.38 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.31 138.71 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.334 1.053 . . . . 0.0 113.781 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.26 133.23 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.344 1.458 . . . . 0.0 111.37 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -126.14 128.85 47.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.679 1.592 . . . . 0.0 111.15 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -135.99 149.1 48.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.809 1.244 . . . . 0.0 113.144 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.64 130.14 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.582 1.153 . . . . 0.0 111.589 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -115.68 135.67 53.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.918 1.287 . . . . 0.0 111.96 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -119.44 135.38 54.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.105 1.762 . . . . 0.0 111.513 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -135.44 151.58 50.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.95 1.3 . . . . 0.0 113.163 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.78 124.88 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.764 1.225 . . . . 0.0 111.006 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -117.74 116.01 26.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.447 1.099 . . . . 0.0 111.903 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.25 128.64 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.848 2.059 . . . . 0.0 110.616 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.469 ' H ' HD13 ' F' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -138.02 128.01 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.658 1.183 . . . . 0.0 111.349 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -119.52 118.28 30.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.049 1.34 . . . . 0.0 111.624 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -121.48 138.49 54.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.437 1.495 . . . . 0.0 113.204 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.469 HD13 ' H ' ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.44 132.85 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.741 1.216 . . . . 0.0 110.746 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.54 116.21 25.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.391 1.477 . . . . 0.0 110.495 174.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.47 ' HE2' ' HB2' ' H' ' 16' ' ' LYS . 20.4 t-160 -131.32 131.36 43.72 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -163.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.404 ' H ' HD13 ' H' ' 31' ' ' ILE . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -132.17 134.56 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.336 1.054 . . . . 0.0 111.333 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -112.58 132.02 55.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.267 1.827 . . . . 0.0 110.342 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.54 134.44 25.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -118.68 115.41 24.45 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.987 1.715 . . . . 0.0 109.79 166.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.47 ' HB2' ' HE2' ' G' ' 14' ' ' HIS . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.404 HD13 ' H ' ' G' ' 31' ' ' ILE . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 137.78 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.099 1.36 . . . . 0.0 110.327 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -119.39 116.78 26.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.895 1.678 . . . . 0.0 110.958 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -116.89 138.01 51.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.132 . . . . 0.0 113.668 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -120.42 103.19 8.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.07 1.748 . . . . 0.0 108.064 163.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.379 0.133 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.76 131.51 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.582 1.553 . . . . 0.0 109.816 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -110.28 127.44 55.01 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.221 1.808 . . . . 0.0 111.222 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -136.71 127.39 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -170.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -114.9 108.04 16.2 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.039 1.736 . . . . 0.0 109.596 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.83 140.58 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.298 1.439 . . . . 0.0 110.439 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -117.33 123.84 47.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.359 1.864 . . . . 0.0 110.677 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -131.98 133.52 44.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -117.8 119.34 34.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.407 1.483 . . . . 0.0 111.653 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -93.31 -59.35 2.05 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -132.66 137.15 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 125.664 1.586 . . . . 0.0 111.017 -173.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -111.91 143.72 42.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.289 1.436 . . . . 0.0 113.94 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -143.58 143.27 31.43 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.192 1.397 . . . . 0.0 113.55 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -133.62 130.7 38.67 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.174 1.79 . . . . 0.0 110.92 171.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -106.61 -94.87 0.37 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -130.04 133.5 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 110.896 170.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -137.14 137.01 38.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.343 1.457 . . . . 0.0 111.461 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -141.76 130.41 22.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.944 0.898 . . . . 0.0 112.781 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -122.09 124.42 43.88 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.609 1.964 . . . . 0.0 109.022 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -123.08 128.74 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.694 1.998 . . . . 0.0 110.512 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.87 124.83 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.245 1.018 . . . . 0.0 111.24 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.22 124.34 42.24 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.469 1.508 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -128.8 134.88 48.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 113.232 -174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -130.54 117.42 19.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.964 1.705 . . . . 0.0 110.162 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.12 126.72 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.868 1.267 . . . . 0.0 110.429 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -125.06 126.3 45.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.72 1.608 . . . . 0.0 111.481 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 126.27 29.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.567 1.147 . . . . 0.0 112.885 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -120.75 115.81 24.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.221 1.808 . . . . 0.0 110.222 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.18 131.86 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.542 1.137 . . . . 0.0 112.104 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -123.85 134.65 53.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.96 1.704 . . . . 0.0 111.162 174.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -142.33 135.2 28.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -172.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -124.62 120.03 30.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.393 1.877 . . . . 0.0 109.528 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.52 132.69 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.991 1.316 . . . . 0.0 111.059 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -129.91 122.25 28.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.297 1.439 . . . . 0.0 112.495 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -122.73 137.47 54.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.96 1.304 . . . . 0.0 113.337 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.11 131.93 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.521 1.128 . . . . 0.0 112.12 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -119.27 128.87 54.57 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 111.028 166.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -132.22 127.77 36.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.18 0.992 . . . . 0.0 112.737 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.99 132.34 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.826 1.25 . . . . 0.0 111.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -126.61 126.18 43.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.844 1.658 . . . . 0.0 110.941 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -133.97 132.79 40.57 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -175.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.4 121.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.074 1.35 . . . . 0.0 110.237 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -116.86 127.28 54.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.304 1.442 . . . . 0.0 110.722 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -134.29 134.02 41.4 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -124.79 113.64 18.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.924 1.69 . . . . 0.0 109.978 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.45 134.47 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.574 1.15 . . . . 0.0 112.458 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -123.03 125.92 46.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.762 1.625 . . . . 0.0 110.67 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -135.79 129.21 32.15 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -125.65 108.21 11.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.211 1.804 . . . . 0.0 109.268 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.12 129.56 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.723 1.209 . . . . 0.0 110.883 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -121.21 127.39 51.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.948 1.699 . . . . 0.0 109.681 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -136.59 132.98 35.86 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -122.15 113.63 19.76 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.704 2.002 . . . . 0.0 109.673 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.397 0.142 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 125.04 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.539 1.536 . . . . 0.0 110.0 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.71 113.93 19.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.613 1.565 . . . . 0.0 111.678 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.69 132.44 56.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.654 1.182 . . . . 0.0 112.98 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -122.4 98.82 6.1 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.044 1.737 . . . . 0.0 109.445 171.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -76.88 -65.09 0.99 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.21 132.91 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.308 1.443 . . . . 0.0 110.986 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -124.49 128.59 49.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.18 1.392 . . . . 0.0 110.945 169.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -132.97 142.45 48.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.1 1.36 . . . . 0.0 113.532 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -135.41 121.34 19.86 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.412 1.885 . . . . 0.0 109.957 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -98.33 -62.91 1.18 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.61 136.68 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -132.28 130.35 40.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.734 1.613 . . . . 0.0 110.626 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -143.59 145.55 32.59 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -165.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 47.67 72.85 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.228 2.611 . . . . 0.0 115.03 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.43 128.16 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 125.388 1.475 . . . . 0.0 111.849 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -132.31 131.91 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.219 1.008 . . . . 0.0 112.372 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -123.1 120.01 32.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.567 1.547 . . . . 0.0 109.93 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.71 129.92 35.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -169.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 58.97 104.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.93 2.492 . . . . 0.0 116.731 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 66.1 t -124.1 121.61 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.187 1.395 . . . . 0.0 110.981 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -123.72 111.96 16.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.451 1.5 . . . . 0.0 110.701 -173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -127.23 132.78 50.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -167.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 63.82 87.6 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.569 2.348 . . . . 0.0 116.288 162.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.16 123.76 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.703 1.201 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -112.02 136.3 51.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.575 1.55 . . . . 0.0 112.87 171.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -130.78 133.35 45.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.309 1.444 . . . . 0.0 113.131 169.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 59.68 109.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.014 2.926 . . . . 0.0 117.922 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -128.54 129.04 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.956 1.303 . . . . 0.0 111.304 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -122.68 123.78 41.92 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.413 1.485 . . . . 0.0 111.351 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -127.35 126.4 42.46 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.55 129.45 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.673 1.189 . . . . 0.0 112.274 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.64 136.16 54.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.11 1.364 . . . . 0.0 111.659 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -133.8 126.49 30.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.693 1.197 . . . . 0.0 112.663 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.05 129.53 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.236 1.414 . . . . 0.0 110.742 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.65 124.86 30.77 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.872 1.669 . . . . 0.0 111.084 -176.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -125.62 137.51 53.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.859 1.264 . . . . 0.0 113.693 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.11 130.77 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.416 1.086 . . . . 0.0 112.461 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.29 119.55 23.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.01 1.724 . . . . 0.0 111.808 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -125.34 134.97 52.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.198 1.399 . . . . 0.0 113.554 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 60.43 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.207 2.603 . . . . 0.0 116.494 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.427 ' HZ2' ' C ' ' I' ' 42' ' ' ALA . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 64.1 t -125.75 124.76 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.813 1.245 . . . . 0.0 110.511 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -117.73 130.29 56.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.791 1.637 . . . . 0.0 111.231 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -140.84 127.1 19.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.962 0.905 . . . . 0.0 113.166 -175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 59.28 101.63 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.267 2.627 . . . . 0.0 116.531 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.427 ' C ' ' HZ2' ' H' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.691 -0.114 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 50.9 t -130.06 130.55 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.72 1.208 . . . . 0.0 110.97 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -125.98 119.94 29.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.731 1.613 . . . . 0.0 110.211 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -135.32 126.68 28.44 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -168.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.05 91.94 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.976 2.51 . . . . 0.0 116.326 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.4 127.03 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.674 1.189 . . . . 0.0 111.348 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -127.05 111.91 14.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.109 1.364 . . . . 0.0 110.53 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -128.0 128.88 45.8 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 57.21 87.56 0.06 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 128.718 2.807 . . . . 0.0 116.101 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -100.91 109.16 21.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.232 1.413 . . . . 0.0 108.091 163.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.26 132.29 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.658 1.183 . . . . 0.0 111.088 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -130.97 133.41 45.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.666 1.586 . . . . 0.0 111.149 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -143.57 134.14 24.93 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 47.24 105.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.945 2.898 . . . . 0.0 117.371 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -116.61 82.42 1.79 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.454 1.502 . . . . 0.0 107.461 162.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . 0.405 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.53 137.43 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.632 1.173 . . . . 0.0 112.299 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -137.94 142.14 40.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.516 1.127 . . . . 0.0 113.21 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -138.89 137.21 36.3 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.635 1.574 . . . . 0.0 113.433 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 53.06 73.26 0.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.276 2.23 . . . . 0.0 114.527 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -127.27 131.85 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.045 1.738 . . . . 0.0 112.833 -178.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 128.01 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.608 1.163 . . . . 0.0 110.807 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -127.79 121.11 29.37 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.934 0.894 . . . . 0.0 111.718 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -123.69 125.4 44.71 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.752 1.221 . . . . 0.0 112.331 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 57.55 94.54 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.99 2.116 . . . . 0.0 114.311 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.84 133.81 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.37 1.068 . . . . 0.0 112.156 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -130.8 128.98 41.8 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.65 1.18 . . . . 0.0 111.204 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -135.96 129.4 32.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.283 1.033 . . . . 0.0 113.526 -171.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 55.6 80.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.071 2.149 . . . . 0.0 114.414 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -133.35 128.76 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.601 1.16 . . . . 0.0 111.117 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -127.6 120.09 27.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.26 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -121.29 130.08 53.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.276 1.431 . . . . 0.0 113.29 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 57.73 89.23 0.05 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.604 2.361 . . . . 0.0 114.805 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -132.07 131.69 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 124.766 1.226 . . . . 0.0 112.155 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -127.43 124.92 39.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.434 1.494 . . . . 0.0 111.586 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -134.55 123.98 24.75 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.27 1.028 . . . . 0.0 113.377 -171.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.406 ' C ' ' HZ1' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.22 130.05 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.279 1.431 . . . . 0.0 110.813 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -127.4 135.07 49.95 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.418 1.487 . . . . 0.0 113.189 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -130.32 127.15 38.86 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.912 1.685 . . . . 0.0 111.895 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.406 ' HZ1' ' C ' ' E' ' 42' ' ' ALA . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.444 ' C ' ' HZ3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.62 126.43 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.094 1.358 . . . . 0.0 110.323 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -128.27 112.02 14.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -115.7 128.2 55.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.988 1.315 . . . . 0.0 112.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.444 ' HZ3' ' C ' ' F' ' 42' ' ' ALA . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.17 130.77 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.008 1.323 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -131.61 122.46 26.07 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.058 1.343 . . . . 0.0 111.747 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.66 129.93 46.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.172 1.389 . . . . 0.0 112.66 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 56.6 85.35 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.23 2.212 . . . . 0.0 114.757 174.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.1 127.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.884 1.274 . . . . 0.0 111.364 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -129.37 116.94 19.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.065 1.346 . . . . 0.0 111.432 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -131.45 124.6 30.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.297 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 58.51 85.55 0.09 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.097 2.159 . . . . 0.0 114.604 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.49 0.186 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.39 129.66 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.02 1.328 . . . . 0.0 111.051 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -128.81 138.58 52.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.033 1.333 . . . . 0.0 113.972 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -132.45 129.96 39.93 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.682 1.593 . . . . 0.0 112.512 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 55.07 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.786 2.834 . . . . 0.0 116.294 172.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.411 ' C ' ' HZ3' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.24 124.63 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.086 0.954 . . . . 0.0 110.329 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -128.5 132.79 48.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.749 1.62 . . . . 0.0 112.27 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -131.67 125.8 33.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 112.35 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 57.57 112.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.07 2.548 . . . . 0.0 116.268 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -139.34 116.55 11.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.174 1.39 . . . . 0.0 110.629 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.411 ' HZ3' ' C ' ' J' ' 42' ' ' ALA . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.495 ' H ' HD12 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.53 128.33 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.813 1.245 . . . . 0.0 110.653 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -131.92 142.89 49.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.208 1.403 . . . . 0.0 112.622 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -138.76 138.19 37.4 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.133 1.373 . . . . 0.0 112.332 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 55.32 61.33 2.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.242 1.817 . . . . 0.0 114.631 170.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -92.82 133.28 36.22 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.828 1.251 . . . . 0.0 111.79 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.495 HD12 ' H ' ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' B' ' 31' ' ' ILE . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.409 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' HD12 ' C' ' 31' ' ' ILE . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' B' ' 31' ' ' ILE . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.448 ' HB ' HD12 ' G' ' 31' ' ' ILE . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.49 ' HB ' HD12 ' H' ' 31' ' ' ILE . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' G' ' 31' ' ' ILE . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.442 ' HB ' HD12 ' J' ' 31' ' ' ILE . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.51 ' HB ' HD12 ' K' ' 31' ' ' ILE . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.452 ' O ' HD13 ' K' ' 31' ' ' ILE . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.51 HD12 ' HB ' ' J' ' 31' ' ' ILE . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . 0.41 ' C ' HG11 ' L' ' 39' ' ' VAL . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.699 ' H ' HG21 ' L' ' 39' ' ' VAL . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.414 HD12 ' HB ' ' K' ' 31' ' ' ILE . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.699 HG21 ' H ' ' K' ' 39' ' ' VAL . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.468 0.175 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' HB2' ' B' ' 19' ' ' PHE 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.727 0.299 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 110.947 -0.02 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 120.14 0.019 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.492 0.187 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' F' ' 32' ' ' ILE . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.466 HD12 ' C ' ' E' ' 31' ' ' ILE . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' G' ' 32' ' ' ILE . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.454 HD12 ' C ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' E' ' 19' ' ' PHE . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' F' ' 19' ' ' PHE . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.215 0.531 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.437 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.455 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.148 0.499 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.453 HD12 ' C ' ' J' ' 31' ' ' ILE . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.437 HG13 HG23 ' K' ' 32' ' ' ILE . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.47 HD12 ' C ' ' K' ' 31' ' ' ILE . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.475 HG13 HG23 ' L' ' 32' ' ' ILE . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.427 ' C ' HD12 ' L' ' 31' ' ' ILE . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.475 HG23 HG13 ' K' ' 32' ' ' ILE . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' C' ' 31' ' ' ILE . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.362 0.125 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.453 ' C ' HD12 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.488 ' HE1' HG22 ' G' ' 32' ' ' ILE . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.457 ' C ' HD12 ' F' ' 31' ' ' ILE . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.522 HG13 HG23 ' G' ' 32' ' ' ILE . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' G' ' 31' ' ' ILE . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.522 HG23 HG13 ' F' ' 32' ' ' ILE . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.498 HG13 HG23 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.498 HG23 HG13 ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.625 ' C ' HG21 ' K' ' 39' ' ' VAL . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.653 ' C ' HG21 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.46 ' H ' HG22 ' K' ' 39' ' ' VAL . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.66 HG22 ' H ' ' L' ' 40' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.66 ' H ' HG22 ' L' ' 39' ' ' VAL . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.649 0.262 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.706 0.288 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 120.65 0.262 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.323 0.106 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 120.867 0.365 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' C ' ' A' ' 31' ' ' ILE . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.515 HD12 ' C ' ' C' ' 31' ' ' ILE . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.544 HD12 ' C ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.034 0.445 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' F' ' 31' ' ' ILE . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.454 HD12 ' C ' ' E' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.452 HG23 HG13 ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.405 ' C ' HD23 ' I' ' 17' ' ' LEU . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.4 ' HB ' HD12 ' J' ' 31' ' ' ILE . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.4 HD12 ' HB ' ' I' ' 31' ' ' ILE . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.46 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.46 HD13 ' O ' ' D' ' 30' ' ' ALA . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.408 HG22 HG12 ' E' ' 32' ' ' ILE . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.446 HG22 HG13 ' F' ' 32' ' ' ILE . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.446 HG13 HG22 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.41 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.41 HD13 ' O ' ' G' ' 30' ' ' ALA . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 116.288 1.958 . . . . 0.0 116.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.451 HG22 HG12 ' E' ' 32' ' ' ILE . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.451 HG12 HG22 ' D' ' 32' ' ' ILE . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.5 0.666 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.503 HG22 HG12 ' H' ' 32' ' ' ILE . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.503 HG12 HG22 ' G' ' 32' ' ' ILE . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.638 HG22 HG12 ' K' ' 32' ' ' ILE . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 20' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.638 HG12 HG22 ' J' ' 32' ' ' ILE . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.454 HG12 HG22 ' K' ' 32' ' ' ILE . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.434 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.418 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.423 HD12 ' C ' ' J' ' 31' ' ' ILE . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 120.415 0.15 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.507 HG13 HG23 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.652 ' C ' HG21 ' L' ' 36' ' ' VAL . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.446 ' N ' HG21 ' L' ' 36' ' ' VAL . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.55 0.942 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.507 HG23 HG13 ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.652 HG21 ' C ' ' K' ' 36' ' ' VAL . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.486 ' H ' HG22 ' L' ' 36' ' ' VAL . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.594 -0.151 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -131.34 125.34 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.938 1.295 . . . . 0.0 109.652 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -121.68 143.28 49.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.108 1.363 . . . . 0.0 112.182 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -136.91 142.19 42.72 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.552 1.141 . . . . 0.0 113.729 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -134.03 134.45 42.42 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.52 1.928 . . . . 0.0 110.57 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' B' ' 31' ' ' ILE . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.78 128.69 67.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.983 1.713 . . . . 0.0 111.981 -175.704 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -128.21 130.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.77 1.228 . . . . 0.0 111.367 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -121.9 133.75 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 112.284 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -122.86 139.37 54.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.056 1.743 . . . . 0.0 112.423 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.1 130.27 37.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.251 1.42 . . . . 0.0 110.7 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.409 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' HD12 ' C' ' 31' ' ' ILE . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 t -132.68 128.22 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.679 1.192 . . . . 0.0 111.802 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -116.08 133.05 56.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.315 1.046 . . . . 0.0 111.831 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -123.22 143.81 49.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.5 1.92 . . . . 0.0 111.743 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -142.03 135.49 29.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 111.674 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' B' ' 31' ' ' ILE . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.01 126.97 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.64 1.176 . . . . 0.0 111.245 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -113.77 127.89 56.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.186 0.994 . . . . 0.0 111.468 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' D' ' 17' ' ' LEU . 14.3 t-80 -122.22 141.35 51.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.659 1.584 . . . . 0.0 112.165 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -138.19 127.68 24.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.36 1.464 . . . . 0.0 111.929 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' D' ' 14' ' ' HIS . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.88 131.59 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.126 1.37 . . . . 0.0 110.197 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -126.04 127.57 46.06 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.667 1.187 . . . . 0.0 111.365 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -129.37 132.07 46.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.739 1.216 . . . . 0.0 112.688 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.41 133.32 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.404 1.082 . . . . 0.0 112.201 -173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -124.4 127.33 47.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.377 1.471 . . . . 0.0 111.605 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -130.81 134.21 46.64 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.675 1.19 . . . . 0.0 112.845 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.448 ' HB ' HD12 ' G' ' 31' ' ' ILE . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 t -124.66 129.82 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.769 1.228 . . . . 0.0 110.775 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -122.46 128.65 51.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.862 1.265 . . . . 0.0 111.831 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -128.52 135.72 49.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.446 1.098 . . . . 0.0 112.782 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.49 ' HB ' HD12 ' H' ' 31' ' ' ILE . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.91 -0.09 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.96 134.88 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.936 1.294 . . . . 0.0 110.939 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -130.8 129.69 42.73 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.712 1.205 . . . . 0.0 112.365 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -127.99 136.22 50.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -131.68 137.93 48.5 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.562 1.145 . . . . 0.0 113.421 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' G' ' 31' ' ' ILE . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 63.4 t -127.96 131.31 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.783 1.233 . . . . 0.0 110.831 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -127.55 129.89 48.13 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.795 1.238 . . . . 0.0 112.249 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -129.07 121.04 27.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.051 1.341 . . . . 0.0 112.091 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.48 125.63 50.3 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.878 1.271 . . . . 0.0 112.138 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.442 ' HB ' HD12 ' J' ' 31' ' ' ILE . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.26 127.9 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.579 1.152 . . . . 0.0 111.14 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -120.82 135.43 55.16 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.125 1.37 . . . . 0.0 111.824 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -126.28 140.14 52.76 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.674 1.19 . . . . 0.0 113.102 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -125.67 132.54 52.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.618 1.567 . . . . 0.0 112.467 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.51 ' HB ' HD12 ' K' ' 31' ' ' ILE . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.83 133.36 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.385 1.074 . . . . 0.0 112.296 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -123.18 118.98 28.87 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.396 1.479 . . . . 0.0 112.84 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.8 140.83 46.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.473 1.509 . . . . 0.0 111.961 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -133.11 133.79 43.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.18 0.992 . . . . 0.0 113.036 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.12 111.79 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.722 2.809 . . . . 0.0 116.349 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.452 ' O ' HD13 ' K' ' 31' ' ' ILE . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.51 HD12 ' HB ' ' J' ' 31' ' ' ILE . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . 0.41 ' C ' HG11 ' L' ' 39' ' ' VAL . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.699 ' H ' HG21 ' L' ' 39' ' ' VAL . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.82 144.12 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.07 1.748 . . . . 0.0 110.567 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -132.29 150.2 52.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.228 1.011 . . . . 0.0 113.355 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -143.3 147.05 34.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.554 1.542 . . . . 0.0 112.041 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -138.63 138.09 37.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 58.43 85.8 0.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.186 2.994 . . . . 0.0 117.224 164.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.414 HD12 ' HB ' ' K' ' 31' ' ' ILE . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.699 HG21 ' H ' ' K' ' 39' ' ' VAL . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.449 0.166 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -131.4 132.47 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.469 1.508 . . . . 0.0 109.929 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.7 139.35 41.89 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -140.58 133.82 29.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.877 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -141.9 132.96 26.11 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.756 1.222 . . . . 0.0 111.201 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' HB2' ' B' ' 19' ' ' PHE 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.61 109.68 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 C-N-CA 125.219 1.408 . . . . 0.0 112.774 -176.829 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.93 120.25 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.49 1.516 . . . . 0.0 109.067 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -128.09 122.13 31.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.062 . . . . 0.0 113.28 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -121.49 133.18 55.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.124 1.769 . . . . 0.0 111.013 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -145.16 110.82 5.38 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.17 0.988 . . . . 0.0 112.751 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.69 124.63 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.713 1.605 . . . . 0.0 110.148 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.69 125.8 36.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.111 1.364 . . . . 0.0 112.308 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -124.97 134.53 52.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.873 1.669 . . . . 0.0 110.695 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -147.92 127.81 13.54 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -173.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 t -123.16 125.86 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.904 1.682 . . . . 0.0 109.903 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -128.49 131.46 48.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.581 1.152 . . . . 0.0 112.839 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -129.28 120.56 25.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.874 1.67 . . . . 0.0 111.475 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -125.37 130.5 52.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.908 1.283 . . . . 0.0 113.129 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 111.172 0.064 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.94 124.19 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.54 1.536 . . . . 0.0 109.72 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -126.05 129.04 48.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.847 1.259 . . . . 0.0 112.661 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -125.15 123.53 39.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.949 1.7 . . . . 0.0 110.756 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.417 0.155 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.78 122.84 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.05 1.34 . . . . 0.0 109.87 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -123.53 128.59 49.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.955 1.302 . . . . 0.0 112.516 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -122.71 130.22 52.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.967 2.107 . . . . 0.0 110.338 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 120.514 0.197 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.81 117.05 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.709 1.604 . . . . 0.0 107.465 165.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -133.87 122.51 23.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.016 0.926 . . . . 0.0 113.275 -161.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -127.25 127.32 44.22 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 112.22 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.0 120.78 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.983 1.313 . . . . 0.0 109.622 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -128.62 129.12 45.46 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.86 1.264 . . . . 0.0 113.46 -172.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -129.4 127.68 41.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 111.779 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -134.0 123.2 24.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.688 1.195 . . . . 0.0 112.611 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.29 124.9 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.29 1.436 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -133.48 129.56 37.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.854 1.262 . . . . 0.0 113.029 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -132.03 130.65 41.63 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.176 1.39 . . . . 0.0 111.793 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.35 129.73 33.87 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.527 1.131 . . . . 0.0 112.451 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -132.39 131.7 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.761 1.225 . . . . 0.0 110.139 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -136.4 129.09 30.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.353 1.061 . . . . 0.0 113.231 -171.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -131.41 128.76 40.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.593 1.557 . . . . 0.0 111.225 169.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -141.24 121.91 14.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.422 0.689 . . . . 0.0 112.759 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.65 123.33 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.704 1.202 . . . . 0.0 110.729 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -129.28 128.77 43.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.307 1.043 . . . . 0.0 113.186 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -135.54 124.95 24.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.478 1.511 . . . . 0.0 111.68 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -138.42 136.24 36.06 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt -122.21 118.47 28.68 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.609 1.564 . . . . 0.0 109.446 161.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.15 138.32 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.06 0.944 . . . . 0.0 112.258 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -138.04 136.42 36.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.478 1.111 . . . . 0.0 113.401 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 120.53 18.71 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.038 1.335 . . . . 0.0 108.713 162.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -145.61 144.02 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -167.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -128.69 126.09 39.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.686 1.594 . . . . 0.0 109.804 165.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -127.44 132.32 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.688 1.595 . . . . 0.0 110.621 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -126.84 142.9 51.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.641 1.176 . . . . 0.0 113.703 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -134.43 128.38 33.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.384 1.873 . . . . 0.0 110.739 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -139.05 129.61 25.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 112.323 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt -130.83 146.61 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 128.706 2.802 . . . . 0.0 117.253 172.063 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.51 0.195 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.77 130.71 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.337 1.455 . . . . 0.0 110.071 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.03 129.5 46.8 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.075 0.95 . . . . 0.0 111.965 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -131.98 126.2 33.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.217 1.807 . . . . 0.0 111.38 -172.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -136.76 120.92 17.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 113.786 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -137.57 125.83 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.604 1.562 . . . . 0.0 110.112 171.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -127.7 128.6 45.7 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.466 1.106 . . . . 0.0 112.63 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -126.33 121.22 31.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.852 1.661 . . . . 0.0 111.44 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.38 126.78 37.93 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.599 1.16 . . . . 0.0 113.23 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' C' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -130.24 128.89 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.876 1.271 . . . . 0.0 110.276 169.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -128.03 129.65 47.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.543 1.137 . . . . 0.0 113.156 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -120.37 121.5 38.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.757 1.223 . . . . 0.0 110.491 163.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -132.12 123.53 27.31 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.705 1.202 . . . . 0.0 111.846 -174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 134.61 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 110.793 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -132.81 135.69 45.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.215 1.406 . . . . 0.0 113.405 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -133.92 124.86 27.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.548 1.539 . . . . 0.0 110.947 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.219 0.057 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -124.78 126.01 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.638 1.175 . . . . 0.0 109.086 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -132.31 119.13 20.34 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.961 0.905 . . . . 0.0 112.933 -167.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -117.96 127.39 53.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.046 1.338 . . . . 0.0 111.016 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -127.48 129.42 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.163 1.385 . . . . 0.0 110.182 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -127.1 133.12 50.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.192 1.397 . . . . 0.0 113.287 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -125.95 120.75 31.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.068 1.747 . . . . 0.0 109.961 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 110.885 -0.042 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -117.3 120.55 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.914 1.286 . . . . 0.0 109.235 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -126.52 125.75 42.57 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.892 0.877 . . . . 0.0 113.254 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -118.54 127.23 53.43 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.616 1.567 . . . . 0.0 111.61 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -135.51 118.09 15.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.265 1.026 . . . . 0.0 113.706 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.755 0.312 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -121.14 125.44 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.043 1.337 . . . . 0.0 109.333 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -121.07 134.35 55.26 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.516 1.527 . . . . 0.0 112.082 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -127.73 126.69 42.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.25 1.42 . . . . 0.0 111.265 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -134.57 126.5 29.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.65 1.18 . . . . 0.0 112.633 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.676 0.274 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.62 124.0 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.189 1.396 . . . . 0.0 109.446 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.7 125.46 45.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.628 1.571 . . . . 0.0 112.657 -173.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -119.79 120.74 37.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.06 1.344 . . . . 0.0 111.103 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.11 133.44 53.6 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 113.398 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.666 0.27 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.6 135.91 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.696 1.598 . . . . 0.0 109.842 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -129.62 126.9 39.51 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.691 1.596 . . . . 0.0 112.666 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -124.36 120.8 33.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.431 1.492 . . . . 0.0 111.178 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -138.65 115.78 11.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.131 0.973 . . . . 0.0 112.345 -169.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -115.4 130.91 57.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.235 1.014 . . . . 0.0 111.632 172.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -133.62 133.28 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 126.46 1.904 . . . . 0.0 108.796 168.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -129.15 134.72 48.16 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.164 1.385 . . . . 0.0 112.436 -174.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.37 133.59 42.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.413 1.485 . . . . 0.0 111.962 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -140.73 133.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.108 1.363 . . . . 0.0 112.204 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -132.75 115.32 15.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 109.946 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -113.2 129.98 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.275 1.03 . . . . 0.0 110.673 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -135.78 138.91 43.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.042 0.937 . . . . 0.0 113.317 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -136.63 133.44 36.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.683 1.593 . . . . 0.0 111.114 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -139.06 122.03 16.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.409 1.084 . . . . 0.0 111.154 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.89 140.54 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.224 1.809 . . . . 0.0 110.81 171.759 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.69 134.7 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.352 0.978 . . . . 0.0 112.717 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -132.48 126.15 32.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.764 1.226 . . . . 0.0 112.856 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -132.95 127.94 35.35 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.917 1.287 . . . . 0.0 112.695 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -131.02 127.91 39.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.404 1.481 . . . . 0.0 112.743 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.56 127.87 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.526 1.13 . . . . 0.0 111.44 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -126.91 128.82 47.06 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.259 . . . . 0.0 111.908 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -134.07 129.49 36.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.381 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -134.87 114.84 12.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.902 1.281 . . . . 0.0 111.95 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -123.36 130.72 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.123 0.969 . . . . 0.0 111.819 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -129.11 123.42 32.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.606 1.562 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -137.28 125.18 22.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.244 1.018 . . . . 0.0 112.527 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.24 127.02 40.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.179 1.392 . . . . 0.0 112.186 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.86 132.73 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.908 . . . . 0.0 111.866 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -132.17 119.18 20.54 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.337 1.455 . . . . 0.0 111.423 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -128.68 128.62 44.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.265 . . . . 0.0 112.532 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' F' ' 32' ' ' ILE . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.466 HD12 ' C ' ' E' ' 31' ' ' ILE . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -124.95 131.65 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.098 0.959 . . . . 0.0 111.357 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 125.75 32.67 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.151 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -125.7 126.96 45.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.205 1.402 . . . . 0.0 111.788 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' G' ' 32' ' ' ILE . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.454 HD12 ' C ' ' F' ' 31' ' ' ILE . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' E' ' 19' ' ' PHE . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.05 129.38 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.884 1.274 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -128.43 134.23 48.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.274 1.43 . . . . 0.0 113.431 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -124.25 124.44 42.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.523 1.529 . . . . 0.0 110.294 165.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' F' ' 19' ' ' PHE . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -104.47 123.98 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.733 1.151 . . . . 0.0 112.165 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -120.43 124.36 45.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.135 1.374 . . . . 0.0 112.145 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -110.92 129.66 55.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.976 1.71 . . . . 0.0 110.309 168.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -135.2 128.41 31.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.461 1.104 . . . . 0.0 112.06 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.437 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.14 127.06 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.727 1.149 . . . . 0.0 111.593 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.51 127.62 44.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 112.199 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -116.91 130.64 56.83 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.407 1.483 . . . . 0.0 111.935 173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -131.88 107.64 8.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.752 1.221 . . . . 0.0 112.276 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.455 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -120.84 128.29 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.159 0.984 . . . . 0.0 113.564 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -125.21 131.28 53.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.153 1.781 . . . . 0.0 111.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -128.91 130.43 46.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.417 1.087 . . . . 0.0 111.641 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -134.33 125.71 28.17 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.453 HD12 ' C ' ' J' ' 31' ' ' ILE . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.437 HG13 HG23 ' K' ' 32' ' ' ILE . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.677 -1.154 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.17 126.59 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.651 1.181 . . . . 0.0 112.577 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -126.21 136.97 53.48 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.011 2.124 . . . . 0.0 111.032 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -140.22 133.81 30.21 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.212 1.005 . . . . 0.0 112.796 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -132.78 125.46 30.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.397 1.479 . . . . 0.0 112.475 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -114.54 106.55 14.4 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.667 1.187 . . . . 0.0 109.412 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.47 HD12 ' C ' ' K' ' 31' ' ' ILE . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.475 HG13 HG23 ' L' ' 32' ' ' ILE . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.77 137.0 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.3 140.46 46.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.788 2.035 . . . . 0.0 111.585 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -141.92 139.99 32.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.358 1.463 . . . . 0.0 111.195 171.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -145.23 130.47 18.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.126 1.37 . . . . 0.0 112.369 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -115.75 123.05 47.29 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.564 1.146 . . . . 0.0 108.811 163.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.427 ' C ' HD12 ' L' ' 31' ' ' ILE . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.475 HG23 HG13 ' K' ' 32' ' ' ILE . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.347 0.118 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -128.47 132.41 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.493 1.517 . . . . 0.0 110.416 169.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -132.76 126.8 33.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.915 1.286 . . . . 0.0 110.465 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -139.1 136.99 35.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.513 1.125 . . . . 0.0 112.929 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.67 133.35 39.97 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.368 1.467 . . . . 0.0 112.378 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.95 132.6 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.102 1.761 . . . . 0.0 111.786 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.91 132.31 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.679 1.191 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.05 125.21 34.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.32 1.448 . . . . 0.0 111.616 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -134.67 131.34 37.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 112.377 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.63 124.45 22.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.181 0.992 . . . . 0.0 112.48 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.46 121.55 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.487 1.115 . . . . 0.0 110.482 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -128.74 129.39 45.67 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.548 1.139 . . . . 0.0 112.636 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -132.79 130.99 40.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.445 1.498 . . . . 0.0 112.392 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -131.77 127.68 37.25 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' C' ' 31' ' ' ILE . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.69 128.4 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.131 1.372 . . . . 0.0 110.477 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -127.73 121.0 29.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 111.476 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -131.17 132.59 44.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.21 1.004 . . . . 0.0 112.955 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -132.25 129.51 39.73 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.982 1.313 . . . . 0.0 111.793 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.43 130.61 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.595 1.158 . . . . 0.0 110.834 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -129.16 130.44 46.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.791 1.237 . . . . 0.0 112.02 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -129.11 133.46 47.66 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 110.888 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.453 ' C ' HD12 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 t -133.46 131.56 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.743 1.217 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -128.87 135.0 48.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.921 1.288 . . . . 0.0 112.816 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.3 145.13 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.488 ' HE1' HG22 ' G' ' 32' ' ' ILE . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.457 ' C ' HD12 ' F' ' 31' ' ' ILE . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.522 HG13 HG23 ' G' ' 32' ' ' ILE . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.51 129.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.723 1.209 . . . . 0.0 110.798 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -129.44 127.84 41.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.961 1.304 . . . . 0.0 112.402 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -124.39 126.28 45.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.507 1.123 . . . . 0.0 111.92 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' G' ' 31' ' ' ILE . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.522 HG23 HG13 ' F' ' 32' ' ' ILE . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.46 124.75 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.694 1.198 . . . . 0.0 109.478 170.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.15 127.11 40.74 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.379 1.071 . . . . 0.0 112.612 -169.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -118.81 128.77 54.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.295 1.438 . . . . 0.0 111.561 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -127.38 120.05 27.59 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.677 1.591 . . . . 0.0 110.719 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.83 129.13 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.478 1.111 . . . . 0.0 111.418 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -125.79 120.08 29.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.326 1.45 . . . . 0.0 112.12 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -113.94 128.09 56.25 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.233 1.413 . . . . 0.0 111.875 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.75 130.31 52.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.999 1.32 . . . . 0.0 112.196 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.498 HG13 HG23 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -132.53 135.08 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.632 1.173 . . . . 0.0 112.306 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -123.52 129.9 51.89 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.679 1.592 . . . . 0.0 110.833 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -126.87 135.73 51.38 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.811 1.244 . . . . 0.0 112.487 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -126.3 128.75 47.62 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.512 1.525 . . . . 0.0 112.256 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.498 HG23 HG13 ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.625 ' C ' HG21 ' K' ' 39' ' ' VAL . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 t -124.73 129.87 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.622 1.169 . . . . 0.0 112.165 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -115.87 117.52 30.43 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.009 1.323 . . . . 0.0 111.42 173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -113.2 139.07 49.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.624 1.17 . . . . 0.0 111.557 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -134.3 133.61 40.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.359 1.064 . . . . 0.0 113.001 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp 55.74 91.78 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.934 2.094 . . . . 0.0 114.719 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.653 ' C ' HG21 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.46 ' H ' HG22 ' K' ' 39' ' ' VAL . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.23 145.26 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.509 1.124 . . . . 0.0 111.379 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -135.8 153.65 51.46 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -143.29 144.19 32.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.845 1.258 . . . . 0.0 112.305 171.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -137.8 138.96 39.74 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.142 1.377 . . . . 0.0 112.58 -174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.05 70.98 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.412 1.885 . . . . 0.0 114.615 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.66 HG22 ' H ' ' L' ' 40' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.66 ' H ' HG22 ' L' ' 39' ' ' VAL . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -137.41 135.18 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 124.135 0.974 . . . . 0.0 112.495 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.81 137.05 52.48 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.969 1.308 . . . . 0.0 111.005 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -143.34 129.71 19.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.571 1.148 . . . . 0.0 112.464 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.37 1.468 . . . . 0.0 112.316 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.93 117.06 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.851 1.261 . . . . 0.0 112.047 -174.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -133.4 136.13 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.823 0.849 . . . . 0.0 112.613 -171.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -121.45 125.45 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.08 1.352 . . . . 0.0 112.012 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -124.13 129.71 51.31 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.805 1.642 . . . . 0.0 112.171 176.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -134.67 130.47 36.38 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.161 1.385 . . . . 0.0 111.593 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.44 138.08 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.386 0.993 . . . . 0.0 112.797 -170.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -123.36 133.12 54.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.558 1.543 . . . . 0.0 112.411 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.03 133.58 47.79 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.123 1.369 . . . . 0.0 112.533 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -135.42 102.56 5.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.618 1.567 . . . . 0.0 111.385 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.49 131.48 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 119.295 0.952 . . . . 0.0 111.362 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -126.0 123.04 37.6 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.501 1.52 . . . . 0.0 111.722 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -129.33 122.58 29.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.534 1.134 . . . . 0.0 112.768 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -123.6 127.05 47.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.467 1.507 . . . . 0.0 111.567 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.21 129.46 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.135 0.974 . . . . 0.0 110.954 -177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -126.77 125.67 42.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.063 1.345 . . . . 0.0 112.413 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -125.09 125.29 43.55 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.951 1.701 . . . . 0.0 110.9 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -115.66 123.65 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.672 1.189 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -125.42 132.26 52.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.129 1.371 . . . . 0.0 112.241 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -136.36 126.06 25.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.845 1.258 . . . . 0.0 111.992 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.25 123.47 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.089 0.956 . . . . 0.0 111.043 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -121.95 132.26 54.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.922 1.689 . . . . 0.0 111.945 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -131.68 128.09 38.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.07 1.348 . . . . 0.0 110.882 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -103.86 122.54 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.948 1.299 . . . . 0.0 109.263 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -133.02 124.71 28.18 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.717 1.207 . . . . 0.0 112.954 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.74 123.36 30.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.97 1.308 . . . . 0.0 111.858 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.57 134.48 54.53 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.258 1.423 . . . . 0.0 112.991 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -131.87 128.95 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.855 1.262 . . . . 0.0 110.996 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -130.76 129.73 42.85 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.103 1.361 . . . . 0.0 112.618 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -130.11 130.9 45.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.268 1.427 . . . . 0.0 111.23 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -140.4 112.83 7.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.059 0.944 . . . . 0.0 112.816 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.088 -0.006 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.19 132.96 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.824 1.25 . . . . 0.0 110.923 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -133.24 118.42 18.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.319 1.047 . . . . 0.0 112.518 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -113.36 130.99 56.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.634 1.174 . . . . 0.0 111.998 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.74 134.81 47.83 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.093 1.357 . . . . 0.0 113.355 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 119.77 -0.157 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 m -130.61 137.02 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.956 0.902 . . . . 0.0 110.854 164.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -137.17 117.16 13.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.836 0.854 . . . . 0.0 112.043 -175.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -111.91 122.79 48.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.483 1.513 . . . . 0.0 110.531 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.23 128.35 39.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.198 0.999 . . . . 0.0 113.25 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -125.74 114.73 19.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.539 1.536 . . . . 0.0 110.216 171.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.88 135.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 110.424 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.85 135.75 36.49 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -134.45 121.09 20.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.061 1.744 . . . . 0.0 109.921 176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -136.11 128.65 30.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.227 1.011 . . . . 0.0 113.331 -170.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -119.34 129.81 55.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.243 1.017 . . . . 0.0 109.932 163.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.34 133.95 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.557 1.543 . . . . 0.0 110.893 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -126.07 143.59 51.06 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 112.019 170.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -139.97 133.69 30.46 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.475 1.51 . . . . 0.0 112.386 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -145.3 152.89 40.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' C ' ' A' ' 31' ' ' ILE . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.79 125.86 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.844 1.658 . . . . 0.0 112.523 -175.403 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -122.68 134.42 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.15 1.78 . . . . 0.0 110.003 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.74 130.02 43.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.983 0.913 . . . . 0.0 111.49 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -130.6 120.94 24.74 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.086 1.354 . . . . 0.0 112.45 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -134.31 144.55 48.38 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.31 138.71 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.334 1.053 . . . . 0.0 113.781 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.26 133.23 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.344 1.458 . . . . 0.0 111.37 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -126.14 128.85 47.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.679 1.592 . . . . 0.0 111.15 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -135.99 149.1 48.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.809 1.244 . . . . 0.0 113.144 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.515 HD12 ' C ' ' C' ' 31' ' ' ILE . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.64 130.14 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.582 1.153 . . . . 0.0 111.589 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -115.68 135.67 53.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.918 1.287 . . . . 0.0 111.96 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -119.44 135.38 54.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.105 1.762 . . . . 0.0 111.513 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -135.44 151.58 50.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.95 1.3 . . . . 0.0 113.163 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.544 HD12 ' C ' ' D' ' 31' ' ' ILE . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.78 124.88 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.764 1.225 . . . . 0.0 111.006 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -117.74 116.01 26.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.447 1.099 . . . . 0.0 111.903 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.25 128.64 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.848 2.059 . . . . 0.0 110.616 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' F' ' 31' ' ' ILE . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.454 HD12 ' C ' ' E' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -138.02 128.01 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.658 1.183 . . . . 0.0 111.349 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -119.52 118.28 30.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.049 1.34 . . . . 0.0 111.624 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -121.48 138.49 54.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.437 1.495 . . . . 0.0 113.204 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.452 HG23 HG13 ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.44 132.85 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.741 1.216 . . . . 0.0 110.746 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.54 116.21 25.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.391 1.477 . . . . 0.0 110.495 174.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -131.32 131.36 43.72 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -163.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -132.17 134.56 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.336 1.054 . . . . 0.0 111.333 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -112.58 132.02 55.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.267 1.827 . . . . 0.0 110.342 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.54 134.44 25.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -118.68 115.41 24.45 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.987 1.715 . . . . 0.0 109.79 166.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 137.78 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.099 1.36 . . . . 0.0 110.327 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -119.39 116.78 26.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.895 1.678 . . . . 0.0 110.958 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -116.89 138.01 51.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.132 . . . . 0.0 113.668 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -120.42 103.19 8.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.07 1.748 . . . . 0.0 108.064 163.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.405 ' C ' HD23 ' I' ' 17' ' ' LEU . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.4 ' HB ' HD12 ' J' ' 31' ' ' ILE . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.379 0.133 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.76 131.51 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.582 1.553 . . . . 0.0 109.816 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -110.28 127.44 55.01 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.221 1.808 . . . . 0.0 111.222 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -136.71 127.39 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -170.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -114.9 108.04 16.2 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.039 1.736 . . . . 0.0 109.596 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.4 HD12 ' HB ' ' I' ' 31' ' ' ILE . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.83 140.58 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.298 1.439 . . . . 0.0 110.439 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -117.33 123.84 47.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.359 1.864 . . . . 0.0 110.677 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -131.98 133.52 44.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -117.8 119.34 34.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.407 1.483 . . . . 0.0 111.653 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -93.31 -59.35 2.05 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -132.66 137.15 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 125.664 1.586 . . . . 0.0 111.017 -173.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -111.91 143.72 42.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.289 1.436 . . . . 0.0 113.94 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -143.58 143.27 31.43 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.192 1.397 . . . . 0.0 113.55 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -133.62 130.7 38.67 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.174 1.79 . . . . 0.0 110.92 171.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -106.61 -94.87 0.37 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -130.04 133.5 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 110.896 170.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -137.14 137.01 38.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.343 1.457 . . . . 0.0 111.461 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -141.76 130.41 22.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.944 0.898 . . . . 0.0 112.781 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -122.09 124.42 43.88 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.609 1.964 . . . . 0.0 109.022 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -123.08 128.74 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.694 1.998 . . . . 0.0 110.512 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.87 124.83 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.245 1.018 . . . . 0.0 111.24 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.22 124.34 42.24 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.469 1.508 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -128.8 134.88 48.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 113.232 -174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -130.54 117.42 19.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.964 1.705 . . . . 0.0 110.162 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.12 126.72 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.868 1.267 . . . . 0.0 110.429 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -125.06 126.3 45.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.72 1.608 . . . . 0.0 111.481 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 126.27 29.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.567 1.147 . . . . 0.0 112.885 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -120.75 115.81 24.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.221 1.808 . . . . 0.0 110.222 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.18 131.86 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.542 1.137 . . . . 0.0 112.104 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -123.85 134.65 53.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.96 1.704 . . . . 0.0 111.162 174.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -142.33 135.2 28.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -172.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -124.62 120.03 30.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.393 1.877 . . . . 0.0 109.528 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.46 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.46 HD13 ' O ' ' D' ' 30' ' ' ALA . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.408 HG22 HG12 ' E' ' 32' ' ' ILE . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.52 132.69 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.991 1.316 . . . . 0.0 111.059 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -129.91 122.25 28.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.297 1.439 . . . . 0.0 112.495 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -122.73 137.47 54.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.96 1.304 . . . . 0.0 113.337 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.446 HG22 HG13 ' F' ' 32' ' ' ILE . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.11 131.93 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.521 1.128 . . . . 0.0 112.12 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -119.27 128.87 54.57 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 111.028 166.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -132.22 127.77 36.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.18 0.992 . . . . 0.0 112.737 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.446 HG13 HG22 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.99 132.34 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.826 1.25 . . . . 0.0 111.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -126.61 126.18 43.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.844 1.658 . . . . 0.0 110.941 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -133.97 132.79 40.57 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -175.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.41 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.41 HD13 ' O ' ' G' ' 30' ' ' ALA . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.4 121.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.074 1.35 . . . . 0.0 110.237 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -116.86 127.28 54.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.304 1.442 . . . . 0.0 110.722 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -134.29 134.02 41.4 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -124.79 113.64 18.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.924 1.69 . . . . 0.0 109.978 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.45 134.47 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.574 1.15 . . . . 0.0 112.458 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -123.03 125.92 46.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.762 1.625 . . . . 0.0 110.67 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -135.79 129.21 32.15 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -125.65 108.21 11.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.211 1.804 . . . . 0.0 109.268 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.12 129.56 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.723 1.209 . . . . 0.0 110.883 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -121.21 127.39 51.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.948 1.699 . . . . 0.0 109.681 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -136.59 132.98 35.86 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -122.15 113.63 19.76 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.704 2.002 . . . . 0.0 109.673 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.397 0.142 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 125.04 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.539 1.536 . . . . 0.0 110.0 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.71 113.93 19.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.613 1.565 . . . . 0.0 111.678 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.69 132.44 56.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.654 1.182 . . . . 0.0 112.98 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -122.4 98.82 6.1 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.044 1.737 . . . . 0.0 109.445 171.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -76.88 -65.09 0.99 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.21 132.91 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.308 1.443 . . . . 0.0 110.986 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -124.49 128.59 49.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.18 1.392 . . . . 0.0 110.945 169.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -132.97 142.45 48.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.1 1.36 . . . . 0.0 113.532 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -135.41 121.34 19.86 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.412 1.885 . . . . 0.0 109.957 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -98.33 -62.91 1.18 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.61 136.68 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -132.28 130.35 40.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.734 1.613 . . . . 0.0 110.626 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -143.59 145.55 32.59 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -165.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 47.67 72.85 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.228 2.611 . . . . 0.0 115.03 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.43 128.16 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 125.388 1.475 . . . . 0.0 111.849 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -132.31 131.91 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.219 1.008 . . . . 0.0 112.372 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -123.1 120.01 32.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.567 1.547 . . . . 0.0 109.93 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.71 129.92 35.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -169.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 58.97 104.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.93 2.492 . . . . 0.0 116.731 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 66.1 t -124.1 121.61 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.187 1.395 . . . . 0.0 110.981 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -123.72 111.96 16.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.451 1.5 . . . . 0.0 110.701 -173.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -127.23 132.78 50.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -167.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 63.82 87.6 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.569 2.348 . . . . 0.0 116.288 162.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.16 123.76 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.703 1.201 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -112.02 136.3 51.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.575 1.55 . . . . 0.0 112.87 171.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -130.78 133.35 45.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.309 1.444 . . . . 0.0 113.131 169.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 59.68 109.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.014 2.926 . . . . 0.0 117.922 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.451 HG22 HG12 ' E' ' 32' ' ' ILE . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -128.54 129.04 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.956 1.303 . . . . 0.0 111.304 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -122.68 123.78 41.92 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.413 1.485 . . . . 0.0 111.351 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -127.35 126.4 42.46 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.451 HG12 HG22 ' D' ' 32' ' ' ILE . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.55 129.45 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.673 1.189 . . . . 0.0 112.274 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.64 136.16 54.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.11 1.364 . . . . 0.0 111.659 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -133.8 126.49 30.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.693 1.197 . . . . 0.0 112.663 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.05 129.53 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.236 1.414 . . . . 0.0 110.742 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.65 124.86 30.77 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.872 1.669 . . . . 0.0 111.084 -176.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -125.62 137.51 53.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.859 1.264 . . . . 0.0 113.693 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.503 HG22 HG12 ' H' ' 32' ' ' ILE . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.11 130.77 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.416 1.086 . . . . 0.0 112.461 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.29 119.55 23.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.01 1.724 . . . . 0.0 111.808 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -125.34 134.97 52.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.198 1.399 . . . . 0.0 113.554 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 60.43 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.207 2.603 . . . . 0.0 116.494 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.503 HG12 HG22 ' G' ' 32' ' ' ILE . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 64.1 t -125.75 124.76 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.813 1.245 . . . . 0.0 110.511 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -117.73 130.29 56.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.791 1.637 . . . . 0.0 111.231 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -140.84 127.1 19.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.962 0.905 . . . . 0.0 113.166 -175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 59.28 101.63 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.267 2.627 . . . . 0.0 116.531 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.691 -0.114 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 50.9 t -130.06 130.55 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.72 1.208 . . . . 0.0 110.97 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -125.98 119.94 29.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.731 1.613 . . . . 0.0 110.211 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -135.32 126.68 28.44 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -168.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.05 91.94 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.976 2.51 . . . . 0.0 116.326 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.638 HG22 HG12 ' K' ' 32' ' ' ILE . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.4 127.03 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.674 1.189 . . . . 0.0 111.348 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -127.05 111.91 14.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.109 1.364 . . . . 0.0 110.53 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -128.0 128.88 45.8 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 57.21 87.56 0.06 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 128.718 2.807 . . . . 0.0 116.101 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -100.91 109.16 21.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.232 1.413 . . . . 0.0 108.091 163.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 20' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.638 HG12 HG22 ' J' ' 32' ' ' ILE . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.26 132.29 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.658 1.183 . . . . 0.0 111.088 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -130.97 133.41 45.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.666 1.586 . . . . 0.0 111.149 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -143.57 134.14 24.93 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 47.24 105.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.945 2.898 . . . . 0.0 117.371 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -116.61 82.42 1.79 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.454 1.502 . . . . 0.0 107.461 162.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.454 HG12 HG22 ' K' ' 32' ' ' ILE . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.53 137.43 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.632 1.173 . . . . 0.0 112.299 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -137.94 142.14 40.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.516 1.127 . . . . 0.0 113.21 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -138.89 137.21 36.3 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.635 1.574 . . . . 0.0 113.433 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 53.06 73.26 0.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.276 2.23 . . . . 0.0 114.527 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -127.27 131.85 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.045 1.738 . . . . 0.0 112.833 -178.85 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 128.01 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.608 1.163 . . . . 0.0 110.807 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -127.79 121.11 29.37 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.934 0.894 . . . . 0.0 111.718 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -123.69 125.4 44.71 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.752 1.221 . . . . 0.0 112.331 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 57.55 94.54 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.99 2.116 . . . . 0.0 114.311 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.84 133.81 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.37 1.068 . . . . 0.0 112.156 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -130.8 128.98 41.8 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.65 1.18 . . . . 0.0 111.204 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -135.96 129.4 32.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.283 1.033 . . . . 0.0 113.526 -171.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 55.6 80.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.071 2.149 . . . . 0.0 114.414 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -133.35 128.76 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.601 1.16 . . . . 0.0 111.117 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -127.6 120.09 27.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.26 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -121.29 130.08 53.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.276 1.431 . . . . 0.0 113.29 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 57.73 89.23 0.05 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.604 2.361 . . . . 0.0 114.805 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -132.07 131.69 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 124.766 1.226 . . . . 0.0 112.155 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -127.43 124.92 39.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.434 1.494 . . . . 0.0 111.586 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -134.55 123.98 24.75 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.27 1.028 . . . . 0.0 113.377 -171.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.22 130.05 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.279 1.431 . . . . 0.0 110.813 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -127.4 135.07 49.95 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.418 1.487 . . . . 0.0 113.189 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -130.32 127.15 38.86 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.912 1.685 . . . . 0.0 111.895 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.62 126.43 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.094 1.358 . . . . 0.0 110.323 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -128.27 112.02 14.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -115.7 128.2 55.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.988 1.315 . . . . 0.0 112.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.17 130.77 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.008 1.323 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -131.61 122.46 26.07 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.058 1.343 . . . . 0.0 111.747 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.66 129.93 46.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.172 1.389 . . . . 0.0 112.66 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 56.6 85.35 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.23 2.212 . . . . 0.0 114.757 174.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.434 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.1 127.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.884 1.274 . . . . 0.0 111.364 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -129.37 116.94 19.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.065 1.346 . . . . 0.0 111.432 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -131.45 124.6 30.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.297 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 58.51 85.55 0.09 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.097 2.159 . . . . 0.0 114.604 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.418 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.49 0.186 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.39 129.66 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.02 1.328 . . . . 0.0 111.051 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -128.81 138.58 52.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.033 1.333 . . . . 0.0 113.972 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -132.45 129.96 39.93 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.682 1.593 . . . . 0.0 112.512 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 55.07 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.786 2.834 . . . . 0.0 116.294 172.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.423 HD12 ' C ' ' J' ' 31' ' ' ILE . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.24 124.63 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.086 0.954 . . . . 0.0 110.329 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -128.5 132.79 48.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.749 1.62 . . . . 0.0 112.27 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -131.67 125.8 33.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 112.35 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 57.57 112.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.07 2.548 . . . . 0.0 116.268 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -139.34 116.55 11.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.174 1.39 . . . . 0.0 110.629 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.507 HG13 HG23 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.652 ' C ' HG21 ' L' ' 36' ' ' VAL . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.446 ' N ' HG21 ' L' ' 36' ' ' VAL . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.53 128.33 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.813 1.245 . . . . 0.0 110.653 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -131.92 142.89 49.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.208 1.403 . . . . 0.0 112.622 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -138.76 138.19 37.4 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.133 1.373 . . . . 0.0 112.332 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 55.32 61.33 2.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.242 1.817 . . . . 0.0 114.631 170.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -92.82 133.28 36.22 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.828 1.251 . . . . 0.0 111.79 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.507 HG23 HG13 ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.652 HG21 ' C ' ' K' ' 36' ' ' VAL . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.486 ' H ' HG22 ' L' ' 36' ' ' VAL . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.57 -0.159 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' B' ' 31' ' ' ILE . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.409 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' HD12 ' C' ' 31' ' ' ILE . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' B' ' 31' ' ' ILE . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.448 ' HB ' HD12 ' G' ' 31' ' ' ILE . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.49 ' HB ' HD12 ' H' ' 31' ' ' ILE . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' G' ' 31' ' ' ILE . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.442 ' HB ' HD12 ' J' ' 31' ' ' ILE . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.51 ' HB ' HD12 ' K' ' 31' ' ' ILE . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.452 ' O ' HD13 ' K' ' 31' ' ' ILE . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.51 HD12 ' HB ' ' J' ' 31' ' ' ILE . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . 0.41 ' C ' HG11 ' L' ' 39' ' ' VAL . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.699 ' H ' HG21 ' L' ' 39' ' ' VAL . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.414 HD12 ' HB ' ' K' ' 31' ' ' ILE . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.699 HG21 ' H ' ' K' ' 39' ' ' VAL . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 120.468 0.175 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' HB2' ' B' ' 19' ' ' PHE 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.582 0.229 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 CA--C 1.543 0.678 0 CA-C-O 120.727 0.299 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 110.947 -0.02 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 120.14 0.019 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.492 0.187 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' F' ' 32' ' ' ILE . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.466 ' C ' HD12 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' G' ' 32' ' ' ILE . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' F' ' 31' ' ' ILE . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' E' ' 19' ' ' PHE . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' F' ' 19' ' ' PHE . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.215 0.531 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.455 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.148 0.499 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.453 ' C ' HD12 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.437 HG13 HG23 ' K' ' 32' ' ' ILE . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.47 ' C ' HD12 ' K' ' 31' ' ' ILE . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.475 HG13 HG23 ' L' ' 32' ' ' ILE . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.427 ' C ' HD12 ' L' ' 31' ' ' ILE . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.475 HG23 HG13 ' K' ' 32' ' ' ILE . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.433 HD12 ' C ' ' C' ' 31' ' ' ILE . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.362 0.125 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.453 HD12 ' C ' ' E' ' 31' ' ' ILE . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.488 ' HE1' HG22 ' G' ' 32' ' ' ILE . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.457 ' C ' HD12 ' F' ' 31' ' ' ILE . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.522 HG13 HG23 ' G' ' 32' ' ' ILE . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.433 HD12 ' C ' ' G' ' 31' ' ' ILE . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.522 HG23 HG13 ' F' ' 32' ' ' ILE . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.463 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.498 HG13 HG23 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.498 HG23 HG13 ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.625 ' C ' HG21 ' K' ' 39' ' ' VAL . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.653 ' C ' HG21 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.46 ' H ' HG22 ' K' ' 39' ' ' VAL . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.66 HG22 ' H ' ' L' ' 40' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.66 ' H ' HG22 ' L' ' 39' ' ' VAL . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.649 0.262 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.706 0.288 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 120.65 0.262 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.323 0.106 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 120.867 0.365 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.515 ' C ' HD12 ' C' ' 31' ' ' ILE . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.034 0.445 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' F' ' 31' ' ' ILE . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' E' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.452 HG23 HG13 ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.405 ' C ' HD23 ' I' ' 17' ' ' LEU . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.4 ' HB ' HD12 ' J' ' 31' ' ' ILE . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.4 HD12 ' HB ' ' I' ' 31' ' ' ILE . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.46 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.46 HD13 ' O ' ' D' ' 30' ' ' ALA . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.408 HG22 HG12 ' E' ' 32' ' ' ILE . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.446 HG22 HG13 ' F' ' 32' ' ' ILE . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.446 HG13 HG22 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.41 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.41 HD13 ' O ' ' G' ' 30' ' ' ALA . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 116.288 1.958 . . . . 0.0 116.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.451 HG22 HG12 ' E' ' 32' ' ' ILE . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.451 HG12 HG22 ' D' ' 32' ' ' ILE . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.5 0.666 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.503 HG22 HG12 ' H' ' 32' ' ' ILE . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.503 HG12 HG22 ' G' ' 32' ' ' ILE . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.638 HG22 HG12 ' K' ' 32' ' ' ILE . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.638 HG12 HG22 ' J' ' 32' ' ' ILE . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.454 HG12 HG22 ' K' ' 32' ' ' ILE . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.434 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.418 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.423 ' C ' HD12 ' J' ' 31' ' ' ILE . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 120.415 0.15 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.507 HG13 HG23 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.652 ' C ' HG21 ' L' ' 36' ' ' VAL . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.446 ' N ' HG21 ' L' ' 36' ' ' VAL . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.55 0.942 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.507 HG23 HG13 ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.652 HG21 ' C ' ' K' ' 36' ' ' VAL . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.486 ' H ' HG22 ' L' ' 36' ' ' VAL . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.594 -0.151 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -131.34 125.34 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.938 1.295 . . . . 0.0 109.652 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -121.68 143.28 49.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.108 1.363 . . . . 0.0 112.182 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -136.91 142.19 42.72 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.552 1.141 . . . . 0.0 113.729 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -134.03 134.45 42.42 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.52 1.928 . . . . 0.0 110.57 171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 51.22 65.54 1.45 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.109 1.364 . . . . 0.0 113.197 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tt -87.34 128.53 35.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.465 1.906 . . . . 0.0 111.426 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.42 118.19 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.653 1.581 . . . . 0.0 111.693 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -82.33 175.17 10.47 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.226 2.21 . . . . 0.0 112.485 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -50.52 144.64 7.53 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.71 178.84 7.21 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.93 163.19 20.22 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -170.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 58.76 94.06 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 128.475 2.71 . . . . 0.0 115.171 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.2 126.0 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.445 1.498 . . . . 0.0 110.847 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.54 -54.4 12.93 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.093 0.854 . . . . 0.0 112.949 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -145.13 135.4 24.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.174 0.988 . . . . 0.0 113.192 163.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -99.41 127.46 45.45 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.728 1.611 . . . . 0.0 113.596 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -130.45 114.41 15.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.107 0.963 . . . . 0.0 110.335 161.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 86.76 0.06 OUTLIER Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.394 0.997 . . . . 0.0 114.503 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.05 114.93 15.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.284 1.434 . . . . 0.0 110.007 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' B' ' 31' ' ' ILE . 19.2 mm -140.85 143.56 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 124.337 1.055 . . . . 0.0 113.629 -169.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.58 129.32 75.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.445 1.898 . . . . 0.0 110.301 163.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.96 -150.58 17.64 Favored Glycine 0 N--CA 1.474 1.231 0 O-C-N 121.586 -0.696 . . . . 0.0 113.618 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.61 -34.99 21.27 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.892 0.846 . . . . 0.0 112.617 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 tpt 53.57 90.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 113.707 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.0 120.08 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.191 1.397 . . . . 0.0 110.499 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.88 -169.76 25.51 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.65 127.87 9.3 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.371 1.463 . . . . 0.0 112.605 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.5 146.43 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.697 1.199 . . . . 0.0 112.486 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.16 137.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.987 1.315 . . . . 0.0 112.295 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.78 128.69 67.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 126.578 1.951 . . . . 0.0 108.914 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.983 1.713 . . . . 0.0 111.981 -175.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.519 -0.277 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -128.21 130.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.77 1.228 . . . . 0.0 111.367 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -121.9 133.75 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 112.284 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -122.86 139.37 54.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.056 1.743 . . . . 0.0 112.423 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.1 130.27 37.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.251 1.42 . . . . 0.0 110.7 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 55.27 78.44 0.18 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.703 1.601 . . . . 0.0 112.59 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -105.29 122.03 45.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.621 1.969 . . . . 0.0 110.518 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -129.53 114.23 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.043 1.337 . . . . 0.0 111.912 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -80.98 175.05 11.02 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 125.5 1.52 . . . . 0.0 113.574 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.99 129.15 0.87 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.351 2.66 . . . . 0.0 115.04 -169.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.9 -178.96 7.09 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 -170.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.16 164.28 26.49 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -167.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 t0 59.68 82.44 0.15 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.275 2.23 . . . . 0.0 113.89 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.5 t -122.69 124.52 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.551 1.54 . . . . 0.0 111.316 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -64.84 3.18 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.46 -0.775 . . . . 0.0 112.117 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -139.04 135.39 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -99.2 131.06 45.5 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.942 1.297 . . . . 0.0 112.962 167.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -128.09 114.22 16.77 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.903 0.881 . . . . 0.0 109.422 158.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.53 92.21 0.03 OUTLIER Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.999 1.285 . . . . 0.0 115.514 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.409 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -135.09 127.98 31.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.038 1.335 . . . . 0.0 111.483 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' HD12 ' C' ' 31' ' ' ILE . 17.0 mm -145.51 143.81 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 120.035 1.289 . . . . 0.0 113.585 -170.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tt -121.59 124.44 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 125.676 1.59 . . . . 0.0 111.264 164.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 -151.48 11.11 Favored Glycine 0 N--CA 1.474 1.171 0 N-CA-C 115.69 1.036 . . . . 0.0 115.69 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 tp -82.51 -37.5 25.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.743 -0.857 . . . . 0.0 110.885 168.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.4 tpt 59.9 88.65 0.07 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.394 1.877 . . . . 0.0 113.79 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.08 133.88 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.669 1.588 . . . . 0.0 111.329 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.44 -113.36 2.68 Favored Glycine 0 N--CA 1.473 1.153 0 C-N-CA 124.711 1.148 . . . . 0.0 113.116 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.11 153.7 21.88 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.41 137.46 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 0.0 111.657 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 t -112.68 128.43 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.655 1.182 . . . . 0.0 110.407 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -120.03 125.88 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.788 1.635 . . . . 0.0 109.768 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.005 1.722 . . . . 0.0 112.596 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 t -132.68 128.22 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.679 1.192 . . . . 0.0 111.802 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -116.08 133.05 56.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.315 1.046 . . . . 0.0 111.831 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -123.22 143.81 49.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.5 1.92 . . . . 0.0 111.743 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -142.03 135.49 29.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 111.674 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 55.62 79.92 0.15 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.503 1.921 . . . . 0.0 113.275 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -108.39 118.34 36.52 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.788 2.035 . . . . 0.0 110.732 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.18 114.86 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.686 1.194 . . . . 0.0 111.85 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -81.01 175.26 10.84 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.241 1.416 . . . . 0.0 113.849 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -36.69 128.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.631 2.772 . . . . 0.0 114.734 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 178.34 8.2 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -166.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.04 165.89 23.36 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.516 2.043 . . . . 0.0 116.516 -167.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 59.27 85.56 0.1 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.282 2.233 . . . . 0.0 113.243 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -129.73 125.44 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.301 1.44 . . . . 0.0 111.316 -172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -73.48 0.65 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.646 0.641 . . . . 0.0 112.02 170.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -134.89 135.36 41.54 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -99.29 132.51 44.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.973 1.309 . . . . 0.0 113.701 166.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -124.54 114.3 19.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.865 1.266 . . . . 0.0 109.469 155.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.49 91.65 0.04 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.763 1.173 . . . . 0.0 115.292 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 112.55 11.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.1 0.96 . . . . 0.0 112.233 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.42 HD12 ' HB ' ' B' ' 31' ' ' ILE . 16.3 mm -134.1 142.9 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -167.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.36 128.34 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.666 1.586 . . . . 0.0 111.414 164.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.18 -157.97 26.23 Favored Glycine 0 N--CA 1.471 0.99 0 N-CA-C 115.065 0.786 . . . . 0.0 115.065 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.88 -41.68 42.87 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.319 1.059 . . . . 0.0 110.926 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.55 94.92 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.38 1.872 . . . . 0.0 112.793 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -128.11 115.78 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.816 1.246 . . . . 0.0 110.561 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.25 -147.02 16.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.025 1.297 . . . . 0.0 114.44 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.3 133.25 7.65 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 124.527 1.06 . . . . 0.0 114.611 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 70.1 t -131.97 140.25 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.577 1.151 . . . . 0.0 112.363 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.73 129.24 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.164 1.386 . . . . 0.0 111.387 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -121.62 124.37 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.166 1.787 . . . . 0.0 109.338 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.301 1.84 . . . . 0.0 112.448 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.01 126.97 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.64 1.176 . . . . 0.0 111.245 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -113.77 127.89 56.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.186 0.994 . . . . 0.0 111.468 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' D' ' 17' ' ' LEU . 14.3 t-80 -122.22 141.35 51.57 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.659 1.584 . . . . 0.0 112.165 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -138.19 127.68 24.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.36 1.464 . . . . 0.0 111.929 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 63.26 110.96 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.81 2.844 . . . . 0.0 115.562 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' D' ' 14' ' ' HIS . 5.8 tt -128.06 124.84 38.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.234 2.214 . . . . 0.0 110.721 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.17 109.81 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.356 1.462 . . . . 0.0 110.407 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -78.78 175.23 10.67 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.332 1.053 . . . . 0.0 113.391 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -36.62 126.11 0.85 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.148 2.579 . . . . 0.0 114.436 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.58 177.96 8.19 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 -165.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.42 167.26 21.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 -165.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.15 84.37 0.13 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.364 2.266 . . . . 0.0 113.019 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.19 127.5 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.595 1.558 . . . . 0.0 111.323 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.12 -77.22 0.47 Allowed Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.798 -0.564 . . . . 0.0 111.749 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -131.18 135.39 47.38 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.24 128.51 45.38 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.129 1.372 . . . . 0.0 113.348 166.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -119.93 114.41 22.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.298 1.039 . . . . 0.0 109.443 156.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.4 91.98 0.04 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.821 1.2 . . . . 0.0 115.111 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.36 112.52 13.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.874 0.87 . . . . 0.0 111.5 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mm -132.9 143.06 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -168.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.23 128.4 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 126.038 1.735 . . . . 0.0 111.863 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.25 -161.96 33.83 Favored Glycine 0 N--CA 1.473 1.129 0 N-CA-C 115.936 1.134 . . . . 0.0 115.936 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -78.94 -43.51 24.48 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.524 -0.986 . . . . 0.0 110.978 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.2 ttt 61.89 91.12 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.392 1.877 . . . . 0.0 113.908 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.77 118.32 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.274 1.43 . . . . 0.0 110.258 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.05 -107.98 1.4 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.74 1.162 . . . . 0.0 112.08 -174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 166.01 38.27 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 118.544 2.177 . . . . 0.0 118.544 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -134.37 136.19 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.277 1.831 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.09 124.01 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.87 1.268 . . . . 0.0 110.213 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.41 127.41 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.547 1.539 . . . . 0.0 109.372 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.517 1.927 . . . . 0.0 111.716 174.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.88 131.59 71.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.126 1.37 . . . . 0.0 110.197 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -126.04 127.57 46.06 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.667 1.187 . . . . 0.0 111.365 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -129.37 132.07 46.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.739 1.216 . . . . 0.0 112.688 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -125.92 132.62 52.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.779 1.232 . . . . 0.0 112.38 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 62.44 87.62 0.1 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.512 2.325 . . . . 0.0 114.479 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -103.92 121.74 43.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.622 1.969 . . . . 0.0 111.097 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -128.53 115.92 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.272 1.429 . . . . 0.0 111.48 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.25 175.33 9.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.507 . . . . 0.0 113.811 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -36.6 127.46 0.84 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.641 2.776 . . . . 0.0 114.792 -168.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.18 176.33 9.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -165.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.37 165.94 21.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.186 2.195 . . . . 0.0 116.162 -167.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t0 60.26 86.59 0.1 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.173 2.189 . . . . 0.0 112.788 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.2 122.97 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.858 1.263 . . . . 0.0 112.679 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -54.69 11.51 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.889 0.757 . . . . 0.0 113.247 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.15 135.32 17.93 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.75 -0.853 . . . . 0.0 112.778 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.37 131.73 45.19 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.499 1.519 . . . . 0.0 113.842 167.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.18 114.36 21.31 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.365 0.666 . . . . 0.0 109.555 154.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.21 93.41 0.04 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.046 1.308 . . . . 0.0 115.43 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.64 112.46 13.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.081 0.952 . . . . 0.0 111.349 168.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -132.45 144.25 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -167.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.25 127.38 65.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 126.093 1.757 . . . . 0.0 112.148 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.85 -166.29 39.48 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.994 1.558 . . . . 0.0 116.994 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.44 -40.18 44.2 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.295 -1.121 . . . . 0.0 111.428 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtp 61.6 72.37 0.51 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.781 1.632 . . . . 0.0 113.8 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.63 118.95 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.322 1.449 . . . . 0.0 110.229 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.32 -134.77 11.78 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.356 1.455 . . . . 0.0 113.367 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.53 136.09 8.77 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.253 0.93 . . . . 0.0 114.778 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -128.56 131.76 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.436 1.095 . . . . 0.0 111.532 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.7 t -123.7 125.08 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.751 1.22 . . . . 0.0 111.243 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -123.88 109.64 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.625 1.57 . . . . 0.0 109.408 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.248 1.819 . . . . 0.0 111.921 175.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.41 133.32 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.404 1.082 . . . . 0.0 112.201 -173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -124.4 127.33 47.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.377 1.471 . . . . 0.0 111.605 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -130.81 134.21 46.64 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.675 1.19 . . . . 0.0 112.845 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -129.14 130.74 46.8 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.136 1.374 . . . . 0.0 111.975 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 58.31 95.33 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.019 2.127 . . . . 0.0 114.535 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.22 116.39 31.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.277 1.831 . . . . 0.0 109.711 168.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.6 111.87 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.822 1.249 . . . . 0.0 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -80.42 175.3 10.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.106 1.362 . . . . 0.0 113.896 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -36.44 127.45 0.8 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 128.767 2.827 . . . . 0.0 114.776 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.98 176.38 9.31 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -166.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.93 166.68 21.65 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -165.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.0 t0 59.97 81.84 0.17 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.503 2.321 . . . . 0.0 113.826 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.29 126.13 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.65 -52.98 30.51 Favored Glycine 0 CA--C 1.535 1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 112.898 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -149.69 135.46 18.6 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.91 0.884 . . . . 0.0 112.665 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.35 134.66 41.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.598 1.559 . . . . 0.0 114.031 169.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -132.61 114.24 13.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.611 0.764 . . . . 0.0 109.998 163.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.69 88.54 0.03 OUTLIER Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.772 1.177 . . . . 0.0 115.387 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.95 112.61 14.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.263 1.025 . . . . 0.0 111.33 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.448 ' HB ' HD12 ' G' ' 31' ' ' ILE . 15.6 mm -134.28 144.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -164.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.97 125.41 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.64 1.576 . . . . 0.0 111.618 168.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.21 174.5 39.01 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tp -65.21 -43.29 92.02 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.722 -0.869 . . . . 0.0 111.59 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 57.67 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.735 2.014 . . . . 0.0 114.117 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.9 t -126.65 109.29 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.552 1.141 . . . . 0.0 109.781 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.32 -96.86 0.51 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.052 1.311 . . . . 0.0 111.931 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.85 162.48 34.77 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 118.103 2.001 . . . . 0.0 118.103 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 t -138.27 132.19 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.159 1.383 . . . . 0.0 111.04 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.69 124.43 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.789 1.235 . . . . 0.0 111.185 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -119.74 109.61 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 125.989 1.716 . . . . 0.0 108.573 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.669 1.587 . . . . 0.0 112.159 -173.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 t -124.66 129.82 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.769 1.228 . . . . 0.0 110.775 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -122.46 128.65 51.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.862 1.265 . . . . 0.0 111.831 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -128.52 135.72 49.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.446 1.098 . . . . 0.0 112.782 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -127.06 134.02 50.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.8 1.24 . . . . 0.0 112.577 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.93 87.32 0.09 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.139 2.175 . . . . 0.0 114.203 172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.06 119.96 39.11 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.538 1.935 . . . . 0.0 109.934 168.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -127.13 109.42 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.355 1.462 . . . . 0.0 110.713 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.12 175.29 10.27 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.38 1.072 . . . . 0.0 113.333 172.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -36.45 128.47 0.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 128.313 2.645 . . . . 0.0 114.73 -168.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.52 175.2 10.39 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.56 167.91 19.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -166.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.69 82.93 0.14 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.455 2.302 . . . . 0.0 113.526 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.05 129.92 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.317 1.447 . . . . 0.0 112.663 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.21 -66.53 2.41 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.69 -0.631 . . . . 0.0 112.381 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -136.61 135.3 38.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.327 0.564 . . . . 0.0 112.255 168.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -99.41 133.58 43.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.901 1.28 . . . . 0.0 113.684 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -132.01 115.08 15.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 111.742 162.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.53 80.31 0.21 Allowed Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.439 -0.788 . . . . 0.0 114.182 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 112.53 18.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.063 0.945 . . . . 0.0 110.696 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.49 ' HB ' HD12 ' H' ' 31' ' ' ILE . 12.7 mm -133.57 144.53 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -165.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -132.96 133.43 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.86 1.664 . . . . 0.0 112.179 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.23 -172.45 45.48 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 117.821 1.888 . . . . 0.0 117.821 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -79.5 -42.82 24.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.641 -0.917 . . . . 0.0 110.791 168.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 74.8 mtp 63.14 79.26 0.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.657 1.983 . . . . 0.0 113.765 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.98 121.17 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.31 1.444 . . . . 0.0 110.828 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.47 -132.51 10.92 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.435 1.493 . . . . 0.0 113.696 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.11 128.44 7.52 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.65 1.119 . . . . 0.0 114.648 -174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 87.6 t -130.19 128.5 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.188 0.995 . . . . 0.0 112.116 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.86 128.18 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.723 1.209 . . . . 0.0 112.905 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.23 121.66 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 126.42 1.888 . . . . 0.0 108.583 167.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 112.526 -179.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.91 -0.09 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.96 134.88 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.936 1.294 . . . . 0.0 110.939 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -130.8 129.69 42.73 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.712 1.205 . . . . 0.0 112.365 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -127.99 136.22 50.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.634 1.573 . . . . 0.0 112.524 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -131.68 137.93 48.5 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.562 1.145 . . . . 0.0 113.421 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.84 75.76 0.38 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.65 1.98 . . . . 0.0 113.999 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -91.63 117.85 30.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.892 1.677 . . . . 0.0 109.952 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.13 113.07 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.186 1.394 . . . . 0.0 111.079 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.13 175.27 10.74 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.811 1.244 . . . . 0.0 113.272 172.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -36.56 127.84 0.82 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.481 2.712 . . . . 0.0 114.528 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 176.62 8.69 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.64 168.01 18.58 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.001 2.121 . . . . 0.0 116.541 -165.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 t0 59.31 85.06 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.349 2.26 . . . . 0.0 113.516 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.6 130.04 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.307 1.043 . . . . 0.0 113.413 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.71 26.16 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.46 -0.775 . . . . 0.0 112.99 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 62.7 p -149.96 135.59 18.38 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.3 134.89 41.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.324 1.05 . . . . 0.0 113.718 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -131.63 115.16 15.71 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.301 1.04 . . . . 0.0 111.639 163.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.11 79.8 0.19 Allowed Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 114.178 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.99 113.72 17.52 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.214 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' G' ' 31' ' ' ILE . 10.0 mm -134.52 143.04 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -163.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.85 128.3 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.398 1.479 . . . . 0.0 111.963 167.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.74 174.8 40.21 Favored Glycine 0 N--CA 1.471 1.016 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.3 -46.97 75.11 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.661 -0.905 . . . . 0.0 111.46 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.9 mtt 60.94 96.1 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.873 2.069 . . . . 0.0 114.096 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.88 110.35 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.795 1.238 . . . . 0.0 109.558 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -120.22 4.45 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.782 1.182 . . . . 0.0 112.578 -170.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.15 139.39 9.79 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.119 0.866 . . . . 0.0 114.956 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.01 131.86 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.446 1.099 . . . . 0.0 110.933 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.76 128.85 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.442 1.097 . . . . 0.0 111.836 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.53 121.9 65.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.043 1.737 . . . . 0.0 109.111 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 C-N-CA 125.867 1.667 . . . . 0.0 112.55 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 63.4 t -127.96 131.31 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.783 1.233 . . . . 0.0 110.831 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -127.55 129.89 48.13 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.795 1.238 . . . . 0.0 112.249 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -129.07 121.04 27.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.051 1.341 . . . . 0.0 112.091 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.48 125.63 50.3 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.878 1.271 . . . . 0.0 112.138 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp 64.47 102.1 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.624 2.37 . . . . 0.0 114.844 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -115.31 114.74 25.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.182 2.193 . . . . 0.0 109.218 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.13 110.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.522 1.129 . . . . 0.0 111.182 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -78.0 175.29 10.22 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.641 1.176 . . . . 0.0 113.329 174.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -36.57 127.2 0.84 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.223 2.609 . . . . 0.0 114.583 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.77 177.5 8.33 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -165.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.99 166.74 19.0 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.237 2.215 . . . . 0.0 116.346 -166.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 t0 60.32 86.75 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.343 2.257 . . . . 0.0 113.729 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.13 131.93 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.37 -55.49 15.31 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.313 -0.867 . . . . 0.0 112.925 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 95.8 p -146.98 135.61 22.04 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 167.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -99.29 134.43 42.16 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.492 1.117 . . . . 0.0 113.379 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -129.42 114.55 16.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.038 0.935 . . . . 0.0 111.101 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.39 83.75 0.14 Allowed Glycine 0 CA--C 1.537 1.443 0 O-C-N 121.373 -0.829 . . . . 0.0 114.25 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.36 114.12 17.14 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.922 0.889 . . . . 0.0 110.975 171.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.442 ' HB ' HD12 ' J' ' 31' ' ' ILE . 9.1 mm -133.38 143.46 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -165.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -131.3 134.45 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.818 1.647 . . . . 0.0 111.864 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.46 -168.12 40.71 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 117.373 1.709 . . . . 0.0 117.373 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -85.73 -47.26 9.93 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 122.177 -0.602 . . . . 0.0 111.58 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.03 97.44 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 127.419 2.288 . . . . 0.0 113.541 -174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.36 114.44 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.469 1.508 . . . . 0.0 109.756 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.82 -97.34 0.88 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.801 1.191 . . . . 0.0 110.768 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.95 170.12 42.24 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 171.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.99 140.33 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.691 1.596 . . . . 0.0 109.961 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.74 127.62 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.426 1.09 . . . . 0.0 111.007 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.56 116.39 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.551 1.541 . . . . 0.0 109.367 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 125.787 1.635 . . . . 0.0 112.433 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.26 127.9 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.579 1.152 . . . . 0.0 111.14 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -120.82 135.43 55.16 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.125 1.37 . . . . 0.0 111.824 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -126.28 140.14 52.76 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.674 1.19 . . . . 0.0 113.102 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -125.67 132.54 52.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.618 1.567 . . . . 0.0 112.467 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 60.46 98.87 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.812 2.445 . . . . 0.0 115.297 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.58 114.76 28.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.489 1.916 . . . . 0.0 108.407 165.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.17 118.26 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.319 1.047 . . . . 0.0 111.904 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.21 175.26 9.06 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.069 1.348 . . . . 0.0 113.695 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -36.47 127.69 0.8 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.784 2.433 . . . . 0.0 114.692 -168.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 176.41 9.79 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -167.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 165.35 19.53 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.249 1.82 . . . . 0.0 115.863 -167.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 58.81 93.13 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.18 2.192 . . . . 0.0 113.266 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.26 127.4 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -55.29 27.84 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.637 -0.664 . . . . 0.0 112.815 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -144.78 135.53 24.67 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.768 0.827 . . . . 0.0 111.82 167.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.29 136.96 38.47 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.47 167.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -134.51 114.31 12.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.433 0.693 . . . . 0.0 111.213 164.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.2 90.03 0.04 OUTLIER Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.316 0.96 . . . . 0.0 114.624 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.46 118.05 16.94 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.661 -0.906 . . . . 0.0 111.515 171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.51 ' HB ' HD12 ' K' ' 31' ' ' ILE . 11.0 mm -135.18 146.61 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -162.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -136.31 132.85 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 125.652 1.581 . . . . 0.0 112.298 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.17 43.97 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 117.006 1.562 . . . . 0.0 117.006 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.41 -40.06 62.25 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.692 -0.887 . . . . 0.0 111.871 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 69.2 mtp 60.14 76.05 0.38 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.952 2.101 . . . . 0.0 113.346 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.72 124.92 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.342 1.857 . . . . 0.0 111.493 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.7 -107.29 2.87 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.086 1.327 . . . . 0.0 110.881 -170.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.67 152.64 23.59 Favored Glycine 0 N--CA 1.472 1.091 0 CA-C-N 118.666 1.233 . . . . 0.0 115.191 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.6 142.55 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.986 1.314 . . . . 0.0 109.928 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -123.78 126.15 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.414 1.086 . . . . 0.0 111.234 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -124.68 123.99 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.422 1.489 . . . . 0.0 110.371 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.251 1.82 . . . . 0.0 112.002 173.832 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.83 133.36 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.385 1.074 . . . . 0.0 112.296 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -123.18 118.98 28.87 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.396 1.479 . . . . 0.0 112.84 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.8 140.83 46.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.473 1.509 . . . . 0.0 111.961 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -133.11 133.79 43.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.18 0.992 . . . . 0.0 113.036 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.12 111.79 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.722 2.809 . . . . 0.0 116.349 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.86 109.01 14.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.359 2.263 . . . . 0.0 107.701 165.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.23 117.0 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.687 0.795 . . . . 0.0 112.727 -167.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -79.64 175.03 10.98 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.66 1.184 . . . . 0.0 113.663 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -36.79 129.86 0.8 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 128.295 2.638 . . . . 0.0 115.078 -170.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.42 176.47 9.33 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.6 165.91 20.12 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 58.92 83.91 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.396 2.278 . . . . 0.0 114.208 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -129.06 124.09 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.345 1.058 . . . . 0.0 111.272 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.88 -46.99 93.15 Favored Glycine 0 N--CA 1.479 1.514 0 O-C-N 120.95 -1.094 . . . . 0.0 113.519 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.0 p -148.27 135.41 20.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.682 163.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -99.43 133.96 42.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.559 1.144 . . . . 0.0 113.555 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -136.47 127.97 28.61 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.17 99.59 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 115.489 0.955 . . . . 0.0 115.489 170.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.452 ' O ' HD13 ' K' ' 31' ' ' ILE . . . -101.09 119.91 39.43 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.547 1.139 . . . . 0.0 112.349 -176.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.51 HD12 ' HB ' ' J' ' 31' ' ' ILE . 9.0 mm -137.25 145.66 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -163.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.71 133.3 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 111.373 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.58 171.39 38.06 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.42 -46.97 62.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.969 -0.724 . . . . 0.0 111.216 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 49.8 mtt 60.46 102.05 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.188 2.195 . . . . 0.0 113.53 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.12 114.91 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.236 1.414 . . . . 0.0 109.258 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.24 -85.34 0.53 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.198 1.38 . . . . 0.0 109.879 -164.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . 0.41 ' C ' HG11 ' L' ' 39' ' ' VAL . . . 153.05 162.96 11.34 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.288 1.675 . . . . 0.0 117.288 164.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.699 ' H ' HG21 ' L' ' 39' ' ' VAL . 12.2 p -114.14 115.47 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 118.616 2.821 . . . . 0.0 118.616 -178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -83.66 128.58 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.294 -1.503 . . . . 0.0 111.29 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 57.3 mt -130.84 131.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.989 1.316 . . . . 0.0 111.96 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.228 1.811 . . . . 0.0 112.654 174.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -126.82 144.12 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 126.07 1.748 . . . . 0.0 110.567 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -132.29 150.2 52.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.228 1.011 . . . . 0.0 113.355 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -143.3 147.05 34.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.554 1.542 . . . . 0.0 112.041 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -138.63 138.09 37.52 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 58.43 85.8 0.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.186 2.994 . . . . 0.0 117.224 164.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -92.89 115.15 27.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.621 1.568 . . . . 0.0 108.757 163.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.61 137.75 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.186 1.395 . . . . 0.0 112.713 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -101.98 175.06 5.67 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.987 1.315 . . . . 0.0 112.579 167.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -40.1 141.69 0.44 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -165.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.41 173.12 12.3 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -172.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.01 167.04 22.31 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.541 1.936 . . . . 0.0 116.02 -168.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 55.7 t0 62.01 86.25 0.11 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.333 2.653 . . . . 0.0 114.578 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -135.38 135.89 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.817 1.647 . . . . 0.0 112.362 -175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -51.75 45.43 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 121.008 -1.058 . . . . 0.0 114.086 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -154.34 135.4 13.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 111.032 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.18 136.32 39.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.736 1.214 . . . . 0.0 113.179 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -136.6 129.7 31.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.776 0.83 . . . . 0.0 112.448 166.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.84 30.43 77.96 Favored Glycine 0 CA--C 1.537 1.452 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 164.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.45 118.86 26.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.094 0.947 . . . . 0.0 111.289 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.414 HD12 ' HB ' ' K' ' 31' ' ' ILE . 13.6 mm -129.47 146.52 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.748 1.219 . . . . 0.0 113.438 -169.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.09 124.21 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.472 1.509 . . . . 0.0 110.726 168.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 173.18 41.96 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 116.252 1.261 . . . . 0.0 116.252 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 tp -80.1 -36.68 35.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.402 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 27.4 ttm 54.8 65.8 1.4 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.853 2.061 . . . . 0.0 114.374 170.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.41 109.76 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.645 1.578 . . . . 0.0 110.106 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -124.69 5.97 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.088 1.328 . . . . 0.0 112.903 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.73 139.38 5.19 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.699 HG21 ' H ' ' K' ' 39' ' ' VAL . 0.0 OUTLIER -147.42 158.56 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 126.992 2.117 . . . . 0.0 116.495 171.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.5 132.69 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.981 1.312 . . . . 0.0 112.223 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.93 128.7 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.944 1.298 . . . . 0.0 109.801 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.553 1.541 . . . . 0.0 111.899 179.266 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.449 0.166 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -131.4 132.47 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.469 1.508 . . . . 0.0 109.929 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -136.7 139.35 41.89 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -140.58 133.82 29.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.877 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -141.9 132.96 26.11 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.756 1.222 . . . . 0.0 111.201 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -138.26 104.11 5.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.903 1.281 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -100.68 133.51 45.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.963 1.305 . . . . 0.0 111.217 172.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.54 108.72 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.327 1.451 . . . . 0.0 109.047 172.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' HB2' ' B' ' 19' ' ' PHE 0.31 0.0 OUTLIER -87.54 18.69 3.75 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 -166.857 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 167.0 154.41 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 131.27 3.828 . . . . 0.0 109.706 157.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 175.17 8.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.72 159.13 7.05 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 126.614 1.966 . . . . 0.0 115.952 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 t0 57.13 78.66 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.136 2.175 . . . . 0.0 114.589 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -111.52 127.33 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.875 1.27 . . . . 0.0 110.669 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.25 68.37 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.527 -0.733 . . . . 0.0 114.301 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -155.38 135.63 13.12 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.171 1.389 . . . . 0.0 111.474 168.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -99.25 134.85 41.51 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.533 1.533 . . . . 0.0 114.167 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -133.73 124.92 27.5 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.231 1.412 . . . . 0.0 111.538 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.02 66.63 2.29 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.685 1.136 . . . . 0.0 115.368 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 122.83 47.4 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.99 1.316 . . . . 0.0 112.002 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.1 pp -141.57 158.61 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -175.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -131.11 133.08 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.053 1.741 . . . . 0.0 110.599 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.23 70.65 1.07 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.736 1.636 . . . . 0.0 115.914 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.5 -43.48 32.02 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.232 1.013 . . . . 0.0 111.492 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.92 -53.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 129.07 2.948 . . . . 0.0 117.663 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -138.63 120.41 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.829 1.252 . . . . 0.0 111.407 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -146.24 17.77 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.776 1.179 . . . . 0.0 114.088 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.21 164.04 31.28 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.3 t -138.25 143.39 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.552 1.541 . . . . 0.0 111.57 -170.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.39 133.1 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.475 1.51 . . . . 0.0 111.114 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.61 109.68 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.67 1.188 . . . . 0.0 108.605 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 C-N-CA 125.219 1.408 . . . . 0.0 112.774 -176.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -123.93 120.25 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.49 1.516 . . . . 0.0 109.067 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -128.09 122.13 31.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.062 . . . . 0.0 113.28 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -121.49 133.18 55.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.124 1.769 . . . . 0.0 111.013 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -145.16 110.82 5.38 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.17 0.988 . . . . 0.0 112.751 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -105.61 118.7 37.24 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.95 1.3 . . . . 0.0 109.646 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 tt -130.62 114.5 15.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.635 1.174 . . . . 0.0 110.481 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.22 115.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.169 0.988 . . . . 0.0 111.162 -166.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -75.79 170.37 16.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.16 0.584 . . . . 0.0 112.115 171.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -36.86 139.3 0.21 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -161.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.14 176.96 5.38 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.906 1.282 . . . . 0.0 114.389 -173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.42 160.87 18.18 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 -165.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.8 t0 59.67 84.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.069 2.147 . . . . 0.0 113.72 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.67 122.95 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 111.44 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -41.47 98.48 Favored Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.446 -0.784 . . . . 0.0 114.153 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -157.39 136.6 11.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.491 1.117 . . . . 0.0 112.127 169.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -98.89 134.21 42.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.215 1.406 . . . . 0.0 112.898 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -136.04 114.28 11.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.105 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.24 99.9 0.05 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.393 1.473 . . . . 0.0 114.306 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.2 112.44 8.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.517 1.527 . . . . 0.0 112.097 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.83 142.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -166.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.49 124.49 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.6 1.16 . . . . 0.0 110.371 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.89 76.93 0.71 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.84 1.21 . . . . 0.0 115.322 168.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.2 -45.36 18.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 170.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt 57.25 -55.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.565 2.746 . . . . 0.0 117.657 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -138.49 118.77 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.352 1.433 . . . . 0.0 112.862 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.11 -114.34 1.73 Allowed Glycine 0 N--CA 1.475 1.258 0 C-N-CA 124.949 1.262 . . . . 0.0 113.805 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.78 170.3 42.99 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 118.073 1.989 . . . . 0.0 118.073 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.24 142.44 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.946 1.298 . . . . 0.0 111.567 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.07 124.81 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.5 1.12 . . . . 0.0 112.007 171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.07 113.37 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.046 1.338 . . . . 0.0 109.023 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.423 1.489 . . . . 0.0 112.658 -179.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.69 124.63 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.713 1.605 . . . . 0.0 110.148 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -129.69 125.8 36.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.111 1.364 . . . . 0.0 112.308 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -124.97 134.53 52.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.873 1.669 . . . . 0.0 110.695 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -147.92 127.81 13.54 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -173.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -123.04 104.94 9.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.608 1.563 . . . . 0.0 109.359 167.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -115.16 118.48 33.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.995 1.318 . . . . 0.0 109.776 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.93 118.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.149 . . . . 0.0 112.029 -166.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 170.94 14.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.229 1.012 . . . . 0.0 112.19 172.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -49.97 148.65 3.13 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 -162.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 178.15 5.87 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.543 1.537 . . . . 0.0 115.129 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.79 165.34 15.35 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.884 2.074 . . . . 0.0 116.214 -167.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 59.26 82.65 0.14 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.2 126.1 68.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.017 1.327 . . . . 0.0 111.44 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.23 -48.4 75.09 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 113.302 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 85.0 p -155.5 143.9 20.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.195 0.998 . . . . 0.0 113.4 169.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -98.95 134.24 42.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.45 1.1 . . . . 0.0 112.82 168.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -128.5 114.38 16.68 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.418 1.087 . . . . 0.0 110.914 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.44 94.71 0.06 OUTLIER Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.957 1.265 . . . . 0.0 114.295 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 121.84 32.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.5 1.92 . . . . 0.0 110.673 174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.52 141.69 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -170.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -117.63 131.56 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.846 1.258 . . . . 0.0 110.586 165.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.9 65.66 2.16 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.758 1.171 . . . . 0.0 115.349 165.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -47.28 68.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 117.32 0.56 . . . . 0.0 109.936 167.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.27 -51.77 0.11 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.113 2.965 . . . . 0.0 116.261 175.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.55 115.7 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.824 1.65 . . . . 0.0 111.73 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.91 -147.06 18.28 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.88 151.9 17.24 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.038 1.304 . . . . 0.0 114.758 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.35 135.72 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.119 -1.224 . . . . 0.0 112.518 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.78 130.71 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.825 1.25 . . . . 0.0 112.044 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.55 111.58 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.003 1.321 . . . . 0.0 109.506 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 125.718 1.607 . . . . 0.0 113.165 -178.589 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 t -123.16 125.86 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.904 1.682 . . . . 0.0 109.903 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -128.49 131.46 48.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.581 1.152 . . . . 0.0 112.839 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -129.28 120.56 25.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.874 1.67 . . . . 0.0 111.475 171.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -125.37 130.5 52.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.908 1.283 . . . . 0.0 113.129 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -124.94 102.13 7.39 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.577 1.551 . . . . 0.0 109.903 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -119.64 114.52 22.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.76 1.224 . . . . 0.0 110.614 -169.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -126.82 118.62 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.635 1.174 . . . . 0.0 111.778 -166.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.17 172.68 11.33 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.643 0.777 . . . . 0.0 113.08 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -54.11 150.59 8.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -163.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 178.12 7.7 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -167.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.3 166.29 14.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 116.484 -167.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 61.17 83.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.248 2.219 . . . . 0.0 113.428 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.23 122.95 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.645 1.578 . . . . 0.0 111.266 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.74 -47.69 80.54 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 121.427 -0.796 . . . . 0.0 113.579 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -154.88 141.01 18.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.493 1.117 . . . . 0.0 112.796 168.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -98.97 134.65 41.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.631 1.172 . . . . 0.0 113.306 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -130.12 114.6 15.94 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.082 1.353 . . . . 0.0 111.458 164.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.27 80.15 0.4 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.435 1.017 . . . . 0.0 114.345 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.6 124.47 52.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.201 1.8 . . . . 0.0 111.012 175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -142.99 144.49 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 94.2 mt -125.82 126.21 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.137 0.975 . . . . 0.0 110.072 166.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.27 72.28 1.17 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.732 1.158 . . . . 0.0 115.05 170.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -48.6 24.75 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 122.148 -0.619 . . . . 0.0 110.177 167.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.1 ttt 58.19 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.275 3.03 . . . . 0.0 117.134 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -138.52 121.74 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.401 1.48 . . . . 0.0 111.883 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.37 -118.0 3.12 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 124.273 0.939 . . . . 0.0 114.362 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.62 173.04 41.99 Favored Glycine 0 N--CA 1.472 1.062 0 N-CA-C 117.74 1.856 . . . . 0.0 117.74 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.11 137.15 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.949 1.3 . . . . 0.0 112.423 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.78 129.86 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.04 1.336 . . . . 0.0 111.564 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -121.65 118.99 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.549 1.14 . . . . 0.0 109.943 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 124.941 1.297 . . . . 0.0 112.433 175.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 111.172 0.064 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.94 124.19 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.54 1.536 . . . . 0.0 109.72 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -126.05 129.04 48.36 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.847 1.259 . . . . 0.0 112.661 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -125.15 123.53 39.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.949 1.7 . . . . 0.0 110.756 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -137.88 122.47 18.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.642 0.777 . . . . 0.0 112.796 -171.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -121.24 122.77 40.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.13 1.372 . . . . 0.0 111.41 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.11 131.5 55.08 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.07 1.348 . . . . 0.0 110.32 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.05 112.32 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.21 1.404 . . . . 0.0 109.847 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 173.18 8.16 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.133 0.573 . . . . 0.0 112.257 174.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -56.86 150.62 16.07 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -163.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.7 179.22 7.89 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -165.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.85 168.98 12.37 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 116.933 2.197 . . . . 0.0 116.933 -164.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 61.2 t0 61.56 80.61 0.22 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.594 2.358 . . . . 0.0 112.964 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -122.9 122.9 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.354 1.861 . . . . 0.0 110.402 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -52.02 38.68 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.209 -0.932 . . . . 0.0 112.928 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -150.75 138.58 19.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.526 1.13 . . . . 0.0 111.999 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.1 126.41 44.84 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.531 1.133 . . . . 0.0 112.916 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -124.23 114.47 19.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.447 1.099 . . . . 0.0 111.018 165.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.73 97.71 0.06 OUTLIER Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.765 1.174 . . . . 0.0 114.605 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.83 122.03 29.55 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.748 1.619 . . . . 0.0 110.658 172.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.1 141.27 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -119.03 132.95 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.602 1.161 . . . . 0.0 110.123 162.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.6 67.88 1.64 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.622 1.106 . . . . 0.0 115.265 166.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -47.73 58.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 117.144 0.472 . . . . 0.0 109.808 166.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ttt 56.15 -54.23 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.849 3.259 . . . . 0.0 117.434 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.52 114.22 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.038 1.735 . . . . 0.0 110.957 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.52 -123.03 2.07 Favored Glycine 0 N--CA 1.475 1.275 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 170.38 40.94 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.75 135.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.896 1.279 . . . . 0.0 112.525 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.84 130.27 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.901 1.28 . . . . 0.0 111.728 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.65 121.67 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.984 1.314 . . . . 0.0 109.8 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.545 1.538 . . . . 0.0 114.184 -177.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.417 0.155 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.78 122.84 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.05 1.34 . . . . 0.0 109.87 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -123.53 128.59 49.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.955 1.302 . . . . 0.0 112.516 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -122.71 130.22 52.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.967 2.107 . . . . 0.0 110.338 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -137.45 130.61 30.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.617 1.167 . . . . 0.0 112.487 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -128.89 108.8 10.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.432 1.493 . . . . 0.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -108.27 125.72 52.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.049 1.339 . . . . 0.0 110.759 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.8 t -126.88 111.69 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.164 1.386 . . . . 0.0 109.887 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.94 173.34 8.49 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.146 0.579 . . . . 0.0 112.247 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -56.09 151.02 12.85 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 116.455 2.021 . . . . 0.0 116.455 -162.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 176.68 9.35 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -167.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.74 166.23 11.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.9 2.08 . . . . 0.0 116.427 -166.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.51 96.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.906 2.482 . . . . 0.0 113.184 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.47 130.04 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.24 -45.46 70.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.704 0.668 . . . . 0.0 113.724 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.2 t -156.6 136.84 12.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.132 0.973 . . . . 0.0 112.341 169.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -99.03 129.77 45.33 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.479 1.112 . . . . 0.0 112.818 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -124.58 114.58 19.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.469 1.108 . . . . 0.0 111.606 165.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.78 85.33 0.17 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.943 1.259 . . . . 0.0 114.377 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.51 124.17 51.76 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.075 1.75 . . . . 0.0 110.793 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.81 143.16 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -170.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -125.07 129.44 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.415 1.086 . . . . 0.0 110.416 165.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 72.13 1.18 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.615 1.102 . . . . 0.0 115.324 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -45.11 20.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.954 0.902 . . . . 0.0 111.158 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 86.9 mtp 49.71 -52.95 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 130.765 3.626 . . . . 0.0 118.869 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -138.45 109.17 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.375 1.47 . . . . 0.0 109.297 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.27 179.19 32.97 Favored Glycine 0 N--CA 1.472 1.039 0 N-CA-C 118.09 1.996 . . . . 0.0 118.09 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.76 145.93 16.23 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.927 1.251 . . . . 0.0 113.387 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 p -132.41 127.13 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.271 1.028 . . . . 0.0 111.977 174.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 t -123.74 120.65 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.824 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -123.24 109.63 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.97 1.308 . . . . 0.0 109.522 -175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 C-N-CA 124.903 1.281 . . . . 0.0 112.441 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 120.514 0.197 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.81 117.05 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.709 1.604 . . . . 0.0 107.465 165.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -133.87 122.51 23.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.016 0.926 . . . . 0.0 113.275 -161.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -127.25 127.32 44.22 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 112.22 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -133.56 131.31 39.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.593 1.157 . . . . 0.0 113.982 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -122.58 117.24 25.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.0 1.32 . . . . 0.0 110.127 163.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.77 128.23 56.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.191 1.396 . . . . 0.0 110.881 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.4 116.62 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.986 1.314 . . . . 0.0 110.112 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.38 173.97 11.33 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -55.32 151.32 9.99 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -179.74 6.79 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -169.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.7 167.81 14.51 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -164.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 59.75 83.6 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.824 2.449 . . . . 0.0 113.834 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -125.09 122.99 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.845 1.258 . . . . 0.0 111.453 -176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -47.91 87.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.085 -1.01 . . . . 0.0 112.951 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -154.46 140.34 18.2 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.303 1.041 . . . . 0.0 112.5 167.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -99.04 136.08 39.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 112.619 170.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -133.91 114.28 13.12 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 125.008 1.323 . . . . 0.0 110.52 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.82 88.96 0.05 OUTLIER Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.846 1.212 . . . . 0.0 114.961 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.0 119.7 35.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.456 1.902 . . . . 0.0 111.177 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.04 141.69 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -121.45 126.7 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.191 0.996 . . . . 0.0 110.305 163.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.62 75.44 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.357 1.456 . . . . 0.0 115.249 168.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -46.5 20.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 117.633 0.716 . . . . 0.0 111.787 168.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm 58.74 -53.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.492 2.717 . . . . 0.0 117.06 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.44 109.25 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.9 1.68 . . . . 0.0 109.898 169.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.45 -174.31 32.84 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.51 142.93 15.14 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.11 1.338 . . . . 0.0 113.704 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.49 124.87 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.984 1.314 . . . . 0.0 111.767 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.82 123.05 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.395 1.478 . . . . 0.0 110.44 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 33.8 mt -127.25 120.15 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.757 1.223 . . . . 0.0 110.805 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 C-N-CA 124.572 1.149 . . . . 0.0 112.795 175.168 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.0 120.78 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.983 1.313 . . . . 0.0 109.622 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -128.62 129.12 45.46 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.86 1.264 . . . . 0.0 113.46 -172.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -129.4 127.68 41.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 111.779 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -134.0 123.2 24.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.688 1.195 . . . . 0.0 112.611 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.12 118.13 31.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.224 1.41 . . . . 0.0 109.529 166.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -130.38 117.35 19.59 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.629 1.172 . . . . 0.0 110.141 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.55 118.12 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.296 1.439 . . . . 0.0 111.11 -170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.27 174.89 9.61 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.16 0.984 . . . . 0.0 112.991 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -61.71 155.37 22.9 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -162.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -178.59 7.0 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -165.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.41 170.55 14.02 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.848 2.459 . . . . 0.0 116.568 -164.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 59.51 83.78 0.13 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.765 2.426 . . . . 0.0 113.309 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.13 122.97 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.799 1.239 . . . . 0.0 111.354 -171.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.8 71.45 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 121.608 -0.683 . . . . 0.0 112.939 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -154.2 136.37 14.79 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 112.279 167.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -99.12 126.36 44.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.459 1.104 . . . . 0.0 112.465 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -125.56 114.52 18.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.513 1.125 . . . . 0.0 111.576 169.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.55 89.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.67 1.129 . . . . 0.0 113.781 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.22 119.25 35.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.05 1.74 . . . . 0.0 110.524 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.1 142.31 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -168.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -119.53 131.65 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.963 1.305 . . . . 0.0 110.739 163.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.21 68.57 1.54 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.097 1.332 . . . . 0.0 115.399 165.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.56 -44.31 57.7 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 117.485 0.643 . . . . 0.0 111.394 170.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 40.3 ttm 55.85 -50.49 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 129.509 3.124 . . . . 0.0 117.56 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.48 117.65 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.395 1.478 . . . . 0.0 111.103 170.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.24 -111.79 0.77 Allowed Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.193 0.902 . . . . 0.0 115.026 169.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.28 175.0 41.53 Favored Glycine 0 N--CA 1.476 1.352 0 N-CA-C 117.275 1.67 . . . . 0.0 117.275 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.37 133.71 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.698 1.599 . . . . 0.0 112.828 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.9 125.33 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.552 1.541 . . . . 0.0 110.952 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -127.16 119.4 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.248 1.419 . . . . 0.0 110.176 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.927 1.291 . . . . 0.0 113.74 177.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.29 124.9 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.29 1.436 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -133.48 129.56 37.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.854 1.262 . . . . 0.0 113.029 -169.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -132.03 130.65 41.63 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.176 1.39 . . . . 0.0 111.793 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.35 129.73 33.87 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.527 1.131 . . . . 0.0 112.451 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -127.38 108.02 10.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.716 1.606 . . . . 0.0 110.215 171.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.98 118.9 29.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.093 1.357 . . . . 0.0 110.529 -171.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -126.99 118.13 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.322 1.449 . . . . 0.0 111.182 -174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.03 174.82 11.21 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -58.78 154.81 14.09 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -162.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.12 179.45 7.85 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -167.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.75 170.18 15.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.472 2.309 . . . . 0.0 116.927 -164.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 t0 61.51 84.64 0.13 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.847 2.459 . . . . 0.0 113.122 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -126.1 122.94 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.121 1.368 . . . . 0.0 111.274 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.29 65.1 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.249 -0.907 . . . . 0.0 113.664 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -156.24 135.54 12.2 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.71 1.204 . . . . 0.0 111.273 168.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -99.15 129.87 45.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 113.261 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -121.65 114.54 21.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.934 1.293 . . . . 0.0 110.758 161.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.06 0.36 Allowed Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.215 0.912 . . . . 0.0 114.105 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.12 117.88 35.12 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 109.562 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.68 146.1 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -171.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -128.52 129.94 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.752 1.221 . . . . 0.0 110.101 165.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.69 68.66 1.49 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.849 1.214 . . . . 0.0 115.182 168.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -46.68 35.76 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 122.022 -0.693 . . . . 0.0 111.13 171.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 56.94 -51.26 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 129.491 3.116 . . . . 0.0 116.967 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -138.56 109.28 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.615 1.566 . . . . 0.0 110.356 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.64 -178.66 30.48 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 117.928 1.931 . . . . 0.0 117.928 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.45 150.8 17.05 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.052 1.311 . . . . 0.0 114.36 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.76 126.77 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.004 1.322 . . . . 0.0 110.681 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.8 118.85 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.334 1.454 . . . . 0.0 110.951 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -127.33 114.33 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.08 1.352 . . . . 0.0 110.25 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 C-N-CA 125.224 1.41 . . . . 0.0 112.761 174.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 110.599 -0.148 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 65.6 t -132.39 131.7 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.761 1.225 . . . . 0.0 110.139 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -136.4 129.09 30.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.353 1.061 . . . . 0.0 113.231 -171.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -131.41 128.76 40.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.593 1.557 . . . . 0.0 111.225 169.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -141.24 121.91 14.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.422 0.689 . . . . 0.0 112.759 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -116.18 118.87 34.02 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.782 1.633 . . . . 0.0 110.248 171.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -131.9 124.26 29.12 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.664 1.186 . . . . 0.0 111.118 -170.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.08 119.0 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.504 1.522 . . . . 0.0 111.146 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.25 174.72 11.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -55.62 152.87 8.62 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -162.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 178.26 8.42 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.71 169.88 11.99 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -163.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 56.5 t0 60.82 85.97 0.11 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.941 2.496 . . . . 0.0 113.526 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.12 122.83 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.234 1.414 . . . . 0.0 111.194 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.23 -41.36 79.76 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 113.585 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 35.3 t -154.59 135.58 13.81 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.358 1.063 . . . . 0.0 111.594 167.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -99.18 129.57 45.43 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.37 1.068 . . . . 0.0 112.807 167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -125.06 114.52 19.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.654 1.181 . . . . 0.0 110.122 164.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.66 87.1 0.13 Allowed Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.187 0.899 . . . . 0.0 114.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.56 117.87 33.53 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.871 1.668 . . . . 0.0 109.543 168.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.51 145.09 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -128.5 131.54 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.96 1.304 . . . . 0.0 109.931 164.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.05 68.86 1.46 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.772 1.177 . . . . 0.0 115.178 168.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -47.5 32.68 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.413 0.685 . . . . 0.0 111.396 173.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 90.0 mmm 55.61 -53.61 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 129.514 3.126 . . . . 0.0 117.087 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.52 121.22 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.948 1.299 . . . . 0.0 111.411 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.99 -119.2 1.59 Allowed Glycine 0 N--CA 1.475 1.238 0 C-N-CA 124.048 0.832 . . . . 0.0 114.83 168.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.29 164.65 36.52 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 116.89 1.516 . . . . 0.0 116.89 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.46 121.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.698 1.999 . . . . 0.0 110.453 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -123.78 120.91 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.15 1.38 . . . . 0.0 111.467 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -130.54 123.15 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.592 1.557 . . . . 0.0 110.616 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.128 1.371 . . . . 0.0 113.343 173.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.65 123.33 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 124.704 1.202 . . . . 0.0 110.729 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -129.28 128.77 43.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.307 1.043 . . . . 0.0 113.186 -171.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -135.54 124.95 24.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.478 1.511 . . . . 0.0 111.68 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -138.42 136.24 36.06 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 ttmt -122.21 118.47 28.68 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.609 1.564 . . . . 0.0 109.446 161.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tt -131.71 120.88 23.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.122 0.969 . . . . 0.0 111.594 -169.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.25 122.48 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.823 1.249 . . . . 0.0 111.861 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.65 174.96 10.88 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -58.72 155.12 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.185 2.291 . . . . 0.0 117.185 -162.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.84 178.79 7.94 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -167.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 172.3 10.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.892 2.477 . . . . 0.0 116.695 -164.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.9 84.3 0.13 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.578 2.351 . . . . 0.0 113.252 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -126.55 123.01 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.452 1.501 . . . . 0.0 111.309 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -53.84 32.56 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.351 -0.843 . . . . 0.0 112.709 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.95 135.57 22.03 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.704 1.202 . . . . 0.0 111.607 167.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.15 128.84 45.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.483 1.113 . . . . 0.0 113.217 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -120.3 115.19 23.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.427 1.491 . . . . 0.0 110.271 163.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.21 86.69 0.1 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.046 0.832 . . . . 0.0 114.043 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.93 117.98 35.6 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.116 1.366 . . . . 0.0 109.097 165.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -140.71 141.98 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -166.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 57.1 mt -125.36 133.69 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.376 1.47 . . . . 0.0 110.213 163.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.17 63.41 2.4 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 124.245 0.926 . . . . 0.0 114.624 167.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -46.56 67.28 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.273 -0.546 . . . . 0.0 110.956 170.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.8 tpt 59.53 -55.88 0.06 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.724 2.809 . . . . 0.0 115.868 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.47 109.19 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.528 1.931 . . . . 0.0 110.095 169.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.71 176.41 30.72 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 118.043 1.977 . . . . 0.0 118.043 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.48 148.72 17.18 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.314 1.435 . . . . 0.0 114.106 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -122.06 123.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.089 1.355 . . . . 0.0 110.516 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.9 119.28 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.435 1.494 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 70.0 mt -129.04 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.231 1.412 . . . . 0.0 110.365 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.156 1.383 . . . . 0.0 113.431 176.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.15 138.32 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.06 0.944 . . . . 0.0 112.258 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -138.04 136.42 36.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.478 1.111 . . . . 0.0 113.401 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.52 120.53 18.71 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.038 1.335 . . . . 0.0 108.713 162.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -145.61 144.02 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -167.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -128.69 126.09 39.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.686 1.594 . . . . 0.0 109.804 165.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 137.49 52.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.648 1.179 . . . . 0.0 112.537 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.51 121.25 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 126.291 1.836 . . . . 0.0 110.545 170.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.58 174.83 10.68 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 121.652 -0.655 . . . . 0.0 112.008 171.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -60.55 162.41 6.45 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.43 2.752 . . . . 0.0 118.43 -161.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.71 174.81 9.31 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 174.3 6.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.748 2.419 . . . . 0.0 115.963 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 60.75 82.93 0.15 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.41 122.93 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.938 1.695 . . . . 0.0 111.364 -170.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.98 -56.75 14.4 Favored Glycine 0 N--CA 1.476 1.364 0 O-C-N 121.545 -0.722 . . . . 0.0 112.685 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -148.15 135.59 20.58 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.572 1.149 . . . . 0.0 110.454 167.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -98.99 133.57 43.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.766 0.826 . . . . 0.0 112.205 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -125.36 118.81 26.71 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.465 1.106 . . . . 0.0 110.11 163.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.95 2.4 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.821 0.724 . . . . 0.0 114.383 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.68 121.05 28.66 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.42 144.43 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -166.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.32 133.91 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.824 1.65 . . . . 0.0 110.254 165.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.8 59.02 3.32 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.219 1.247 . . . . 0.0 116.219 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -48.48 65.9 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 117.933 0.867 . . . . 0.0 111.864 173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt 55.43 -60.1 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 129.157 2.983 . . . . 0.0 116.419 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 t -137.0 126.98 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.925 1.69 . . . . 0.0 110.604 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -145.44 16.24 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.704 1.145 . . . . 0.0 113.476 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.38 171.53 38.26 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 132.98 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.36 1.464 . . . . 0.0 112.846 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.82 116.75 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.547 1.939 . . . . 0.0 110.289 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.73 128.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.002 1.321 . . . . 0.0 109.216 171.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 126.022 1.729 . . . . 0.0 112.193 178.348 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -127.44 132.32 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.688 1.595 . . . . 0.0 110.621 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -126.84 142.9 51.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.641 1.176 . . . . 0.0 113.703 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -134.43 128.38 33.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.384 1.873 . . . . 0.0 110.739 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -139.05 129.61 25.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 112.323 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.69 93.13 3.76 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.814 1.645 . . . . 0.0 110.157 174.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -101.17 122.37 43.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.265 1.826 . . . . 0.0 111.352 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.5 121.62 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.166 1.387 . . . . 0.0 110.918 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.05 174.93 11.06 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.705 0.802 . . . . 0.0 112.234 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -55.82 152.02 10.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -164.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.99 179.34 6.29 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.122 1.769 . . . . 0.0 115.056 -174.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.39 160.71 12.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.609 1.964 . . . . 0.0 115.648 -174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t0 59.07 89.13 0.06 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.137 2.175 . . . . 0.0 113.908 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.79 123.13 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.171 1.388 . . . . 0.0 109.444 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -49.31 59.46 Favored Glycine 0 N--CA 1.477 1.423 0 C-N-CA 123.523 0.583 . . . . 0.0 113.148 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -151.77 135.33 16.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.227 1.011 . . . . 0.0 111.953 163.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.43 138.46 36.5 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.469 1.108 . . . . 0.0 112.458 165.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.35 116.34 26.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.318 1.047 . . . . 0.0 110.18 160.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.33 102.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.697 1.142 . . . . 0.0 113.493 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.33 112.36 12.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.489 1.516 . . . . 0.0 110.434 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.06 152.6 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -170.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.89 117.3 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.018 1.327 . . . . 0.0 107.657 159.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.24 168.36 31.13 Favored Glycine 0 N--CA 1.479 1.503 0 O-C-N 121.615 -0.678 . . . . 0.0 114.667 -173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.74 -32.63 73.38 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -165.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.1 mtp 50.54 59.76 4.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.099 1.36 . . . . 0.0 113.538 -174.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 p -95.6 139.71 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.558 1.143 . . . . 0.0 112.266 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.96 -177.61 46.36 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.347 1.451 . . . . 0.0 114.529 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.22 117.51 5.31 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.643 -0.916 . . . . 0.0 112.758 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.6 t -142.16 143.45 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 124.828 1.251 . . . . 0.0 112.6 -167.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -113.88 132.46 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 112.082 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tt -130.83 146.61 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 126.532 1.933 . . . . 0.0 112.758 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 128.706 2.802 . . . . 0.0 117.253 172.063 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.51 0.195 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.77 130.71 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.337 1.455 . . . . 0.0 110.071 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -128.03 129.5 46.8 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.075 0.95 . . . . 0.0 111.965 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -131.98 126.2 33.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.217 1.807 . . . . 0.0 111.38 -172.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -136.76 120.92 17.84 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 113.786 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -105.37 119.69 39.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.732 1.213 . . . . 0.0 109.012 160.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -131.2 109.57 10.52 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.617 1.567 . . . . 0.0 110.818 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.31 120.95 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.374 1.07 . . . . 0.0 111.743 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.92 174.89 10.56 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -52.73 148.67 7.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -164.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.75 179.57 7.11 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.639 1.576 . . . . 0.0 114.898 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.01 158.88 24.39 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 61.05 84.44 0.13 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.373 2.269 . . . . 0.0 114.405 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -121.76 126.05 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.689 1.196 . . . . 0.0 111.245 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.31 -53.47 41.87 Favored Glycine 0 CA--C 1.535 1.333 0 O-C-N 121.527 -0.733 . . . . 0.0 112.96 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -152.44 135.4 15.6 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 164.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -99.52 132.64 44.72 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 166.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -115.01 117.81 31.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.974 0.91 . . . . 0.0 110.997 163.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.77 79.21 0.48 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.118 1.818 . . . . 0.0 114.054 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.01 113.58 27.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.537 1.935 . . . . 0.0 111.785 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.89 145.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -171.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -121.72 116.33 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 158.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.71 155.45 14.64 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 116.001 1.161 . . . . 0.0 116.001 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.0 -39.4 94.66 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.502 -0.999 . . . . 0.0 112.832 -173.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 21.8 ttm 60.08 81.15 0.18 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.433 1.493 . . . . 0.0 113.429 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.85 109.28 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.835 1.254 . . . . 0.0 111.181 -173.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.58 -177.06 18.85 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.932 1.729 . . . . 0.0 113.931 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.54 92.62 0.99 Allowed Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.684 -0.892 . . . . 0.0 112.589 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.92 144.75 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.81 132.29 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.547 1.139 . . . . 0.0 112.174 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.63 120.74 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.616 1.166 . . . . 0.0 111.403 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -167.57 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -137.57 125.83 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.604 1.562 . . . . 0.0 110.112 171.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -127.7 128.6 45.7 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.466 1.106 . . . . 0.0 112.63 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -126.33 121.22 31.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.852 1.661 . . . . 0.0 111.44 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.38 126.78 37.93 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.599 1.16 . . . . 0.0 113.23 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.83 113.84 24.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.942 1.297 . . . . 0.0 109.496 165.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -123.91 114.99 20.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.857 1.663 . . . . 0.0 110.494 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -128.48 125.28 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.2 1.0 . . . . 0.0 113.574 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.27 174.98 9.49 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.263 1.425 . . . . 0.0 112.54 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -55.01 149.86 11.19 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.666 2.099 . . . . 0.0 116.666 -165.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.65 -177.23 6.64 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.929 1.691 . . . . 0.0 115.263 -170.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.74 161.13 21.43 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 58.74 88.84 0.06 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.125 2.17 . . . . 0.0 114.101 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 t -129.9 130.43 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.291 1.036 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.13 38.54 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 121.32 -0.862 . . . . 0.0 113.592 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.1 t -155.68 135.58 12.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.903 0.851 . . . . 0.0 112.96 169.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.43 140.68 33.26 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.346 1.459 . . . . 0.0 113.488 166.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -125.95 121.89 34.4 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.135 0.974 . . . . 0.0 110.601 162.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 84.64 0.1 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.207 1.384 . . . . 0.0 113.103 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.49 112.25 23.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.185 1.794 . . . . 0.0 110.01 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.92 141.04 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 -166.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -120.63 124.77 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.865 1.266 . . . . 0.0 108.34 158.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.51 -169.74 35.51 Favored Glycine 0 N--CA 1.473 1.113 0 N-CA-C 116.693 1.437 . . . . 0.0 116.693 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -85.47 -40.77 16.02 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.191 0.995 . . . . 0.0 110.711 168.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ttt 61.37 66.53 0.86 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.147 1.379 . . . . 0.0 112.773 173.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.3 t -112.02 121.42 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.65 1.58 . . . . 0.0 111.379 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.08 -175.01 21.15 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.093 1.33 . . . . 0.0 114.57 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.96 102.33 2.25 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.915 172.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.51 143.23 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.87 130.47 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.596 1.158 . . . . 0.0 111.399 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.41 119.65 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 125.718 1.607 . . . . 0.0 110.764 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' C' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -130.24 128.89 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.876 1.271 . . . . 0.0 110.276 169.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -128.03 129.65 47.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.543 1.137 . . . . 0.0 113.156 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -120.37 121.5 38.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.757 1.223 . . . . 0.0 110.491 163.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -132.12 123.53 27.31 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.705 1.202 . . . . 0.0 111.846 -174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -119.76 112.82 19.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 110.167 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 tp -123.89 112.85 17.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.378 1.871 . . . . 0.0 111.348 -169.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.09 112.85 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.073 1.749 . . . . 0.0 110.077 -171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 174.83 10.7 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.602 -0.686 . . . . 0.0 112.577 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -56.33 147.95 19.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -162.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 -176.32 5.69 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.675 1.59 . . . . 0.0 115.135 -169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 163.32 25.45 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -166.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 t0 59.54 80.66 0.19 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.214 2.206 . . . . 0.0 113.586 176.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.77 123.04 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.084 1.354 . . . . 0.0 111.248 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -47.22 77.89 Favored Glycine 0 CA--C 1.537 1.436 0 O-C-N 121.413 -0.805 . . . . 0.0 113.879 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 65.3 p -156.93 135.52 11.51 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.951 0.876 . . . . 0.0 112.784 167.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -99.64 137.19 38.47 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.358 1.863 . . . . 0.0 113.787 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -124.0 119.41 29.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.038 0.935 . . . . 0.0 110.302 158.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.58 0.14 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.64 1.591 . . . . 0.0 113.377 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.37 112.65 24.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.46 1.904 . . . . 0.0 110.151 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.06 144.65 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -173.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.58 127.8 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.182 1.393 . . . . 0.0 108.582 159.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -162.45 31.15 Favored Glycine 0 N--CA 1.472 1.059 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.51 -39.71 27.42 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.607 -0.937 . . . . 0.0 111.092 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 14.6 ttt 59.64 77.19 0.32 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.466 1.506 . . . . 0.0 112.784 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.13 124.79 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.032 1.333 . . . . 0.0 112.05 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.07 -168.6 14.16 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.163 1.84 . . . . 0.0 113.385 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.63 130.03 11.57 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.606 -0.938 . . . . 0.0 111.921 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.22 131.79 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 118.284 1.042 . . . . 0.0 111.709 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.76 120.58 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.241 1.016 . . . . 0.0 111.595 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 80.7 mt -104.51 118.04 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 109.16 167.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 C-N-CA 124.734 1.214 . . . . 0.0 113.707 178.317 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 134.61 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 110.793 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -132.81 135.69 45.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.215 1.406 . . . . 0.0 113.405 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -133.92 124.86 27.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.548 1.539 . . . . 0.0 110.947 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -136.29 130.87 33.62 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -115.22 119.65 37.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 109.578 162.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 24.6 tp -127.74 115.65 19.02 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.856 1.663 . . . . 0.0 111.069 -170.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 118.95 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.448 1.099 . . . . 0.0 111.859 -167.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.63 174.94 10.86 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.174 0.99 . . . . 0.0 112.848 174.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -55.34 149.59 12.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -164.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 -178.02 6.73 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.544 1.538 . . . . 0.0 114.851 -173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.98 163.63 24.16 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -166.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 49.5 t0 61.97 83.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.484 2.314 . . . . 0.0 113.634 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.01 124.38 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.257 1.423 . . . . 0.0 111.713 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -47.27 84.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.37 -0.831 . . . . 0.0 113.937 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -157.72 135.63 10.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.079 0.952 . . . . 0.0 112.633 168.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.41 134.7 41.89 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.321 1.848 . . . . 0.0 113.133 166.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -125.26 117.29 23.49 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.782 0.833 . . . . 0.0 110.32 161.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.78 97.24 0.07 OUTLIER Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.578 1.561 . . . . 0.0 112.885 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.27 114.78 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.808 2.043 . . . . 0.0 109.563 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -141.19 140.0 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -170.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 88.1 mt -125.03 122.63 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.892 1.277 . . . . 0.0 109.094 161.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.43 -163.68 32.39 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.862 1.505 . . . . 0.0 116.862 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.85 -33.19 34.67 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.417 -1.049 . . . . 0.0 111.612 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.7 ttt 59.71 57.64 3.12 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.37 1.468 . . . . 0.0 113.061 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.79 130.33 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.521 1.128 . . . . 0.0 111.874 -172.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 -159.89 13.87 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.652 1.596 . . . . 0.0 113.613 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.31 122.29 6.54 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.283 0.944 . . . . 0.0 112.253 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.61 130.02 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 118.173 0.987 . . . . 0.0 112.277 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.7 126.33 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.635 1.174 . . . . 0.0 110.859 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 73.9 mt -120.36 111.23 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.686 1.594 . . . . 0.0 108.886 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 C-N-CA 125.113 1.365 . . . . 0.0 114.13 -174.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.219 0.057 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -124.78 126.01 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.638 1.175 . . . . 0.0 109.086 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -132.31 119.13 20.34 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.961 0.905 . . . . 0.0 112.933 -167.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -117.96 127.39 53.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.046 1.338 . . . . 0.0 111.016 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -142.45 127.75 18.76 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.04 121.73 42.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 109.419 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -132.35 113.92 13.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.382 1.473 . . . . 0.0 111.417 -171.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.02 120.47 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.969 1.307 . . . . 0.0 111.979 -169.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.6 174.9 10.39 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.902 1.281 . . . . 0.0 113.21 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -54.94 148.25 13.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -165.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.28 -178.16 6.8 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.396 1.478 . . . . 0.0 114.831 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.22 161.27 25.2 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.751 2.13 . . . . 0.0 116.751 -166.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.27 89.17 0.08 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.804 2.442 . . . . 0.0 113.87 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -133.19 122.96 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.932 1.293 . . . . 0.0 111.741 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.89 -42.39 86.06 Favored Glycine 0 CA--C 1.538 1.487 0 O-C-N 121.332 -0.855 . . . . 0.0 114.667 -175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 43.3 t -157.34 135.42 11.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.484 1.114 . . . . 0.0 111.025 166.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.62 140.11 34.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.63 1.972 . . . . 0.0 113.612 165.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -130.6 126.08 35.78 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.746 0.818 . . . . 0.0 110.45 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.92 78.79 0.27 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.779 1.657 . . . . 0.0 113.7 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.97 115.96 30.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.876 1.67 . . . . 0.0 110.69 169.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.5 137.01 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -169.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -121.68 118.16 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.63 1.172 . . . . 0.0 108.776 160.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.99 168.89 38.18 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 116.239 1.256 . . . . 0.0 116.239 172.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.57 -46.07 89.98 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.956 -0.732 . . . . 0.0 111.301 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpp 57.43 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.087 1.755 . . . . 0.0 113.091 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.55 113.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.799 1.24 . . . . 0.0 109.82 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.66 -93.85 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.489 1.042 . . . . 0.0 112.802 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.3 144.13 8.45 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 117.665 0.733 . . . . 0.0 113.869 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 137.01 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.37 120.54 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.116 1.367 . . . . 0.0 110.523 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.55 109.61 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.361 1.464 . . . . 0.0 108.076 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.947 1.299 . . . . 0.0 113.196 -175.55 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -127.48 129.42 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.163 1.385 . . . . 0.0 110.182 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -127.1 133.12 50.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.192 1.397 . . . . 0.0 113.287 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -125.95 120.75 31.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.068 1.747 . . . . 0.0 109.961 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -131.64 131.77 43.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.384 1.074 . . . . 0.0 113.407 -173.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -127.35 102.35 6.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.441 1.496 . . . . 0.0 109.322 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 tp -118.29 116.85 27.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.058 1.743 . . . . 0.0 111.761 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.32 119.72 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.616 1.166 . . . . 0.0 111.788 -171.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.2 174.97 10.12 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.194 1.397 . . . . 0.0 112.978 175.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -54.98 147.53 15.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -163.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.62 -178.67 6.47 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.459 1.504 . . . . 0.0 114.911 -172.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.13 161.57 18.76 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.485 2.031 . . . . 0.0 116.485 -167.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 61.3 88.15 0.09 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.784 2.434 . . . . 0.0 113.716 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.41 123.06 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.658 1.183 . . . . 0.0 111.334 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.01 -39.18 96.24 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.397 -0.814 . . . . 0.0 113.788 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -161.81 135.75 6.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.772 1.629 . . . . 0.0 111.357 165.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.1 141.73 31.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.925 1.69 . . . . 0.0 112.163 167.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -138.31 114.36 10.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.519 0.728 . . . . 0.0 109.888 167.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.1 104.26 0.06 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.098 1.332 . . . . 0.0 112.986 -167.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.93 112.6 14.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.113 . . . . 0.0 109.968 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.56 142.25 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -168.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 82.8 mt -128.49 128.03 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.726 1.61 . . . . 0.0 108.655 160.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.53 40.27 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.88 -38.71 20.79 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.748 -0.854 . . . . 0.0 110.508 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 82.5 mmm 58.18 74.06 0.44 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.098 1.759 . . . . 0.0 113.367 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.53 131.15 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.429 1.492 . . . . 0.0 111.666 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.92 -76.81 0.22 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.98 1.752 . . . . 0.0 112.551 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.07 161.93 27.51 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 116.771 1.468 . . . . 0.0 116.771 171.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.06 134.64 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.168 1.387 . . . . 0.0 113.114 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -121.95 126.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.066 1.346 . . . . 0.0 110.657 170.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 77.5 mt -117.14 109.91 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.668 1.587 . . . . 0.0 108.558 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 124.769 1.228 . . . . 0.0 113.496 -175.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 110.885 -0.042 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -117.3 120.55 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.914 1.286 . . . . 0.0 109.235 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -126.52 125.75 42.57 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.892 0.877 . . . . 0.0 113.254 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -118.54 127.23 53.43 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.616 1.567 . . . . 0.0 111.61 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -135.51 118.09 15.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.265 1.026 . . . . 0.0 113.706 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.09 126.11 46.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.69 0.796 . . . . 0.0 109.254 160.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -133.33 111.1 10.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.606 1.162 . . . . 0.0 111.004 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.04 115.34 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.485 1.114 . . . . 0.0 111.022 -168.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.64 174.9 9.14 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.027 1.331 . . . . 0.0 112.658 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -55.32 146.65 18.81 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -163.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 179.17 7.65 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.301 1.44 . . . . 0.0 114.641 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.99 161.52 24.11 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -165.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.54 89.57 0.08 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.781 2.433 . . . . 0.0 113.942 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.98 122.91 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.724 1.209 . . . . 0.0 111.278 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -38.95 96.49 Favored Glycine 0 CA--C 1.537 1.429 0 O-C-N 121.221 -0.924 . . . . 0.0 114.432 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 6.8 m -160.69 135.55 7.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.656 1.582 . . . . 0.0 110.848 163.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.35 140.23 33.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.484 1.913 . . . . 0.0 113.754 167.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -127.17 133.53 50.3 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.782 0.833 . . . . 0.0 110.625 156.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.66 64.88 2.76 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.998 1.285 . . . . 0.0 114.285 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.75 118.71 27.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.573 1.549 . . . . 0.0 111.734 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.1 142.19 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.53 124.91 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.604 1.562 . . . . 0.0 109.326 159.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.51 172.73 35.7 Favored Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.972 1.149 . . . . 0.0 115.972 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.92 -40.98 90.72 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.518 -0.99 . . . . 0.0 111.964 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.2 mmt 54.78 83.88 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.095 1.758 . . . . 0.0 113.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.2 111.21 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.441 1.096 . . . . 0.0 110.369 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.87 -167.5 15.16 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 126.105 1.812 . . . . 0.0 113.775 -173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.85 133.37 15.25 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.614 -0.933 . . . . 0.0 113.65 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 119.26 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.013 1.325 . . . . 0.0 112.164 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.83 126.9 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.434 1.494 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -120.24 111.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 125.889 1.676 . . . . 0.0 108.659 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.207 1.403 . . . . 0.0 113.552 -176.217 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.755 0.312 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -121.14 125.44 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.043 1.337 . . . . 0.0 109.333 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -121.07 134.35 55.26 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.516 1.527 . . . . 0.0 112.082 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -127.73 126.69 42.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.25 1.42 . . . . 0.0 111.265 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -134.57 126.5 29.42 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.65 1.18 . . . . 0.0 112.633 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -121.99 110.52 15.92 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.092 1.357 . . . . 0.0 110.014 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 24.4 tp -123.03 112.99 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.238 1.415 . . . . 0.0 111.974 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -122.27 118.29 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.979 1.312 . . . . 0.0 112.028 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.98 175.07 8.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.128 1.771 . . . . 0.0 113.41 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -51.19 144.22 9.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.59 177.45 8.41 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -169.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.52 162.58 22.98 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -165.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 61.66 91.36 0.06 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.81 2.444 . . . . 0.0 113.94 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -131.88 123.5 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.01 1.324 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.24 95.58 Favored Glycine 0 CA--C 1.54 1.622 0 O-C-N 120.991 -1.068 . . . . 0.0 113.841 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 41.1 p -161.22 136.02 7.37 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.916 1.286 . . . . 0.0 111.998 163.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -99.23 137.63 37.47 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.522 1.529 . . . . 0.0 112.694 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -133.66 117.12 16.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.518 0.727 . . . . 0.0 111.43 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.37 108.9 0.16 Allowed Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.117 1.341 . . . . 0.0 112.982 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 116.32 11.82 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.177 1.791 . . . . 0.0 110.37 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.37 134.72 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -169.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.59 124.93 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.324 1.049 . . . . 0.0 109.195 157.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.93 -175.5 46.02 Favored Glycine 0 N--CA 1.47 0.914 0 N-CA-C 116.431 1.332 . . . . 0.0 116.431 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.8 -45.57 16.75 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.846 -0.797 . . . . 0.0 110.445 169.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ttt 60.79 87.69 0.09 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.283 1.833 . . . . 0.0 113.754 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.41 113.07 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.206 1.402 . . . . 0.0 110.012 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.94 -164.64 22.59 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.647 1.594 . . . . 0.0 113.899 -174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.05 127.06 7.74 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.053 0.835 . . . . 0.0 113.264 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.28 121.73 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.994 1.718 . . . . 0.0 110.266 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -123.79 125.84 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.078 0.951 . . . . 0.0 111.627 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.19 109.63 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.006 1.322 . . . . 0.0 108.114 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.146 0.978 . . . . 0.0 112.82 -178.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.676 0.274 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -121.62 124.0 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.189 1.396 . . . . 0.0 109.446 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -122.7 125.46 45.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.628 1.571 . . . . 0.0 112.657 -173.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -119.79 120.74 37.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.06 1.344 . . . . 0.0 111.103 172.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.11 133.44 53.6 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.355 1.462 . . . . 0.0 113.398 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -127.85 127.45 43.49 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.741 1.216 . . . . 0.0 111.213 168.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.09 123.77 41.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.38 1.872 . . . . 0.0 110.925 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -124.95 116.69 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.636 1.174 . . . . 0.0 110.579 172.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.04 175.07 9.78 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.189 1.396 . . . . 0.0 114.352 -175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -38.08 126.52 1.29 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.873 2.069 . . . . 0.0 113.833 -170.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.04 178.48 8.2 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -165.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.95 163.36 24.69 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.909 2.084 . . . . 0.0 116.211 -166.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 30.9 t0 60.26 84.92 0.11 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.544 2.338 . . . . 0.0 113.239 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -127.32 123.04 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.944 1.298 . . . . 0.0 111.314 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.86 95.57 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.198 -0.939 . . . . 0.0 113.492 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -151.43 135.37 16.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.99 1.316 . . . . 0.0 110.495 163.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -99.53 130.19 45.76 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.324 1.45 . . . . 0.0 112.921 165.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.79 127.91 49.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.852 0.861 . . . . 0.0 111.003 164.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.96 69.95 1.28 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.279 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.8 123.91 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 111.604 169.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.59 139.41 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -175.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -126.59 116.52 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.312 1.445 . . . . 0.0 108.657 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.29 163.79 24.92 Favored Glycine 0 N--CA 1.471 1.015 0 N-CA-C 116.452 1.341 . . . . 0.0 116.452 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.21 -43.23 96.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.897 -0.767 . . . . 0.0 112.711 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtt 54.8 89.05 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.363 1.865 . . . . 0.0 114.093 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.9 114.14 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.086 1.354 . . . . 0.0 110.19 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.95 -152.66 20.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.457 1.504 . . . . 0.0 113.73 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.17 130.62 10.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.315 0.96 . . . . 0.0 113.044 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.86 118.85 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.381 1.472 . . . . 0.0 110.502 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.62 121.91 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.964 1.306 . . . . 0.0 111.198 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.81 109.72 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.12 1.368 . . . . 0.0 109.143 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.666 0.27 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.6 135.91 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.696 1.598 . . . . 0.0 109.842 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -129.62 126.9 39.51 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.691 1.596 . . . . 0.0 112.666 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -124.36 120.8 33.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.431 1.492 . . . . 0.0 111.178 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -138.65 115.78 11.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.131 0.973 . . . . 0.0 112.345 -169.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -115.4 130.91 57.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.235 1.014 . . . . 0.0 111.632 172.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.64 115.84 15.91 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.673 1.589 . . . . 0.0 110.567 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.06 119.7 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.922 1.289 . . . . 0.0 111.034 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -83.7 174.96 10.04 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.644 1.578 . . . . 0.0 113.839 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.54 132.01 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.007 2.123 . . . . 0.0 114.305 -172.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.0 176.14 10.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 -167.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.66 166.72 20.17 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.214 2.206 . . . . 0.0 116.667 -165.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t0 61.1 86.93 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.743 2.417 . . . . 0.0 113.534 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.35 127.03 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.663 1.185 . . . . 0.0 112.069 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.15 98.9 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 113.756 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -160.44 136.06 8.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.788 1.235 . . . . 0.0 112.244 164.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -99.4 130.33 45.66 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.517 1.127 . . . . 0.0 112.652 166.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -123.02 114.49 20.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.111 0.964 . . . . 0.0 109.89 165.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 110.82 0.08 OUTLIER Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.223 1.392 . . . . 0.0 113.665 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 122.23 27.0 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.098 1.759 . . . . 0.0 108.775 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.21 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -169.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 87.3 mt -119.23 114.77 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 155.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.87 156.02 14.79 Favored Glycine 0 N--CA 1.471 1.0 0 N-CA-C 116.736 1.454 . . . . 0.0 116.736 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.03 -40.61 78.52 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.595 -0.944 . . . . 0.0 112.219 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mtp 55.03 82.88 0.09 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.84 2.056 . . . . 0.0 113.51 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -116.27 116.19 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.438 1.495 . . . . 0.0 110.806 -176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.91 -96.03 0.3 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.639 1.114 . . . . 0.0 113.094 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.16 138.59 6.67 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 123.885 0.755 . . . . 0.0 113.899 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.05 124.53 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.573 1.149 . . . . 0.0 111.816 -172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 t -123.84 121.81 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.571 1.548 . . . . 0.0 110.966 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -124.85 114.77 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.893 1.277 . . . . 0.0 109.652 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.725 1.21 . . . . 0.0 112.896 178.157 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 65.0 t -133.62 133.28 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 126.46 1.904 . . . . 0.0 108.796 168.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -129.15 134.72 48.16 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.164 1.385 . . . . 0.0 112.436 -174.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.37 133.59 42.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.413 1.485 . . . . 0.0 111.962 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -140.73 133.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.108 1.363 . . . . 0.0 112.204 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -132.75 115.32 15.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 109.946 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -120.1 119.51 33.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.79 1.636 . . . . 0.0 110.44 -173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 m -121.12 121.82 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.459 1.504 . . . . 0.0 111.238 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -85.28 175.02 9.17 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.605 1.162 . . . . 0.0 112.201 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -49.68 147.11 3.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 -165.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.73 172.0 14.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.896 2.079 . . . . 0.0 116.229 -171.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.52 166.98 19.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 126.89 2.076 . . . . 0.0 115.957 -169.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 60.74 89.21 0.07 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.254 2.622 . . . . 0.0 113.661 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -135.02 132.98 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.441 1.496 . . . . 0.0 112.273 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.88 -54.96 27.34 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.257 0.932 . . . . 0.0 113.92 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -153.84 135.36 14.3 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.891 0.876 . . . . 0.0 110.963 166.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -99.42 124.66 44.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.308 1.443 . . . . 0.0 113.374 171.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -110.47 122.41 47.67 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.537 0.735 . . . . 0.0 109.864 160.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.49 71.69 0.96 Allowed Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.926 1.251 . . . . 0.0 115.018 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.24 124.83 30.28 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 117.773 0.787 . . . . 0.0 109.162 161.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.76 136.8 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -128.21 115.7 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.668 1.587 . . . . 0.0 107.521 156.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.34 166.91 37.72 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.72 -39.22 17.43 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.931 0.892 . . . . 0.0 113.115 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mpt? 52.19 89.11 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.769 2.028 . . . . 0.0 113.801 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.42 127.31 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.772 1.229 . . . . 0.0 110.167 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.61 -156.52 21.56 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.584 1.088 . . . . 0.0 113.605 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.92 141.83 23.79 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.209 0.909 . . . . 0.0 115.063 -172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 124.06 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.569 1.547 . . . . 0.0 112.179 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.95 123.57 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.249 1.82 . . . . 0.0 110.642 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.46 125.3 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.983 1.313 . . . . 0.0 109.657 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 125.397 1.479 . . . . 0.0 112.951 177.247 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -113.2 129.98 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.275 1.03 . . . . 0.0 110.673 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -135.78 138.91 43.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.042 0.937 . . . . 0.0 113.317 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -136.63 133.44 36.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.683 1.593 . . . . 0.0 111.114 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -139.06 122.03 16.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.409 1.084 . . . . 0.0 111.154 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -129.3 115.02 16.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 111.597 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.89 128.24 55.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.825 1.25 . . . . 0.0 108.979 165.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.39 127.16 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.348 1.059 . . . . 0.0 110.979 -174.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -87.98 175.04 7.95 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 126.13 1.772 . . . . 0.0 113.839 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -40.38 128.68 2.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.02 2.528 . . . . 0.0 113.86 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 -178.84 4.72 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.02 162.15 11.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.016 2.126 . . . . 0.0 115.817 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 t0 56.35 78.46 0.21 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.079 2.152 . . . . 0.0 114.899 174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.84 126.86 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.109 1.364 . . . . 0.0 110.176 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.72 -57.26 10.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.16 0.886 . . . . 0.0 113.484 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.54 135.46 30.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.538 1.135 . . . . 0.0 112.301 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -99.25 143.36 29.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.716 1.606 . . . . 0.0 114.391 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -143.78 118.13 9.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.626 1.57 . . . . 0.0 110.007 161.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.59 79.42 0.19 Allowed Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.631 1.11 . . . . 0.0 114.545 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 171.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.63 158.87 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.721 1.608 . . . . 0.0 113.591 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.14 129.71 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 125.653 1.581 . . . . 0.0 109.925 160.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.79 165.13 31.25 Favored Glycine 0 N--CA 1.477 1.43 0 N-CA-C 115.568 0.987 . . . . 0.0 115.568 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.77 -48.41 59.39 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.425 -1.044 . . . . 0.0 113.283 -174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.4 mtt -133.9 139.71 46.35 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.001 1.32 . . . . 0.0 112.996 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -135.16 127.17 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.451 1.5 . . . . 0.0 109.462 168.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.63 147.09 9.57 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.35 28.24 72.77 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.896 1.236 . . . . 0.0 113.945 -172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.68 139.56 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.788 1.635 . . . . 0.0 112.416 -168.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.98 127.45 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.496 1.518 . . . . 0.0 111.488 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 tt -130.89 140.54 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.448 1.499 . . . . 0.0 112.843 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.224 1.809 . . . . 0.0 110.81 171.759 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.69 134.7 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.352 0.978 . . . . 0.0 112.717 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -132.48 126.15 32.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.764 1.226 . . . . 0.0 112.856 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -132.95 127.94 35.35 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.917 1.287 . . . . 0.0 112.695 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -131.02 127.91 39.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.404 1.481 . . . . 0.0 112.743 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.12 118.64 25.66 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.515 1.526 . . . . 0.0 110.721 167.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.22 110.5 16.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.605 1.562 . . . . 0.0 109.452 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -116.78 120.05 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.351 1.061 . . . . 0.0 111.707 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.98 175.01 10.38 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -36.83 127.48 0.88 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.701 2.801 . . . . 0.0 114.541 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.19 -178.81 6.75 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.68 163.51 23.7 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -169.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.2 t0 60.07 82.44 0.16 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.966 2.107 . . . . 0.0 113.889 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.72 125.61 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.61 1.164 . . . . 0.0 111.624 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -53.66 28.22 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.682 -0.637 . . . . 0.0 113.458 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -146.36 135.68 22.85 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.008 0.923 . . . . 0.0 112.94 170.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -99.1 137.87 37.01 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.649 1.18 . . . . 0.0 113.571 171.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -136.23 114.46 11.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.9 1.28 . . . . 0.0 110.9 164.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 83.42 0.11 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.836 1.208 . . . . 0.0 114.539 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.59 112.52 5.44 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 157.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.95 123.22 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.683 1.593 . . . . 0.0 109.787 165.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.75 154.61 21.31 Favored Glycine 0 N--CA 1.467 0.764 0 N-CA-C 116.028 1.171 . . . . 0.0 116.028 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.57 -43.89 83.79 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 122.002 -0.705 . . . . 0.0 112.256 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.5 ttt -138.56 131.95 30.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.241 1.016 . . . . 0.0 113.342 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 t -128.45 122.95 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.0 1.32 . . . . 0.0 110.267 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.71 118.46 1.0 Allowed Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.79 59.27 5.25 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 118.369 1.085 . . . . 0.0 113.585 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.06 137.3 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.901 1.28 . . . . 0.0 111.856 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 t -123.43 126.26 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.044 1.338 . . . . 0.0 111.536 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 tt -124.74 125.7 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.317 1.447 . . . . 0.0 111.123 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.421 1.489 . . . . 0.0 112.379 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -125.56 127.87 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.526 1.13 . . . . 0.0 111.44 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -126.91 128.82 47.06 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.846 1.259 . . . . 0.0 111.908 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -134.07 129.49 36.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.381 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -134.87 114.84 12.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.902 1.281 . . . . 0.0 111.95 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -116.99 114.59 24.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.595 1.158 . . . . 0.0 110.954 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -119.01 124.19 46.37 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.064 1.746 . . . . 0.0 110.58 175.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.21 120.86 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.581 1.152 . . . . 0.0 111.088 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -82.78 175.22 10.28 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.996 1.719 . . . . 0.0 114.294 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -36.66 125.82 0.86 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.174 2.59 . . . . 0.0 114.756 -169.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.84 180.0 7.56 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.65 163.39 25.69 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -167.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t0 58.56 87.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.14 2.176 . . . . 0.0 113.143 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -129.98 122.9 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.355 1.062 . . . . 0.0 111.121 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.42 56.6 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.531 -0.731 . . . . 0.0 113.089 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -149.1 135.49 19.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.002 0.921 . . . . 0.0 112.21 167.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -99.32 130.46 45.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.789 1.236 . . . . 0.0 113.415 170.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -126.25 114.52 18.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.263 1.025 . . . . 0.0 111.071 162.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.99 84.18 0.12 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 124.877 1.227 . . . . 0.0 114.614 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 112.61 5.85 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.47 158.67 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.655 1.182 . . . . 0.0 114.03 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.07 133.19 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.948 1.699 . . . . 0.0 111.102 164.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.3 155.03 23.59 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 171.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tp -69.46 -44.42 71.28 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.657 -0.907 . . . . 0.0 111.796 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -131.9 127.72 37.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.808 1.243 . . . . 0.0 112.278 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.48 120.13 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.35 1.46 . . . . 0.0 110.065 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.17 118.28 1.27 Allowed Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.109 0.861 . . . . 0.0 114.916 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.96 70.4 1.2 Allowed Glycine 0 N--CA 1.476 1.362 0 O-C-N 121.15 -1.206 . . . . 0.0 113.645 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.88 143.95 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.84 126.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.796 1.238 . . . . 0.0 111.333 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 tt -130.74 128.13 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.806 1.242 . . . . 0.0 113.098 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 C-N-CA 127.22 2.208 . . . . 0.0 110.602 171.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -123.36 130.72 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.123 0.969 . . . . 0.0 111.819 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -129.11 123.42 32.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.606 1.562 . . . . 0.0 110.364 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -137.28 125.18 22.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.244 1.018 . . . . 0.0 112.527 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -129.24 127.02 40.38 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.179 1.392 . . . . 0.0 112.186 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.43 105.24 8.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.63 1.572 . . . . 0.0 109.056 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -129.35 126.25 38.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.096 1.358 . . . . 0.0 112.307 -164.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -125.68 122.52 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.465 1.106 . . . . 0.0 112.051 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -78.49 175.3 10.46 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.803 2.041 . . . . 0.0 113.459 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -36.69 125.49 0.86 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.788 2.435 . . . . 0.0 114.558 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.64 -178.43 7.03 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -168.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.99 165.21 25.45 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 -164.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.8 t0 58.56 79.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.623 2.369 . . . . 0.0 113.453 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.8 t -124.11 122.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.795 1.238 . . . . 0.0 111.554 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.68 -52.26 47.3 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.561 -0.712 . . . . 0.0 113.117 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -146.97 135.46 21.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.532 1.133 . . . . 0.0 111.414 168.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.18 131.9 44.88 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.683 1.193 . . . . 0.0 113.259 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -130.32 114.54 15.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.424 1.09 . . . . 0.0 111.477 166.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.64 83.61 0.09 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.354 1.454 . . . . 0.0 114.405 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.76 112.48 5.66 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.64 158.95 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -167.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.0 138.07 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.971 1.308 . . . . 0.0 111.888 162.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.79 152.81 22.67 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 166.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.09 -48.67 22.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.843 -0.798 . . . . 0.0 111.369 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.31 28.31 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.517 1.527 . . . . 0.0 110.231 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.55 112.78 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.018 1.327 . . . . 0.0 110.365 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.25 140.85 11.48 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.484 1.04 . . . . 0.0 114.385 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.08 51.59 55.81 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.472 -1.016 . . . . 0.0 114.176 170.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -118.78 134.45 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.256 1.422 . . . . 0.0 112.246 -176.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.91 118.9 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 110.762 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -109.45 126.26 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.324 1.849 . . . . 0.0 111.581 177.612 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.86 132.73 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.908 . . . . 0.0 111.866 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -132.17 119.18 20.54 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.337 1.455 . . . . 0.0 111.423 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -128.68 128.62 44.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.265 . . . . 0.0 112.532 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.25 120.03 18.4 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.802 1.241 . . . . 0.0 112.806 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.84 121.05 44.27 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.775 0.83 . . . . 0.0 109.249 162.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -133.9 125.81 29.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.181 0.993 . . . . 0.0 113.13 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.99 115.76 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.32 1.048 . . . . 0.0 111.256 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' F' ' 32' ' ' ILE . 8.1 t80 -77.31 175.09 10.05 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.896 1.679 . . . . 0.0 112.872 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -36.72 123.62 0.83 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.126 2.17 . . . . 0.0 114.736 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.79 179.41 7.84 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -167.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.73 165.17 25.33 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -165.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t0 60.72 83.13 0.15 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.7 2.4 . . . . 0.0 113.258 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -128.1 122.9 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.781 1.233 . . . . 0.0 111.778 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.58 -45.87 87.42 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.395 -0.815 . . . . 0.0 113.643 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -154.99 135.52 13.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.328 1.051 . . . . 0.0 111.521 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -99.3 129.6 45.53 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.042 1.337 . . . . 0.0 114.031 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -125.79 116.79 22.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.329 1.052 . . . . 0.0 111.466 163.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.14 83.17 0.14 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.897 1.237 . . . . 0.0 114.147 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.77 112.55 6.28 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.466 ' C ' HD12 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -134.61 159.05 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.893 1.277 . . . . 0.0 113.864 -169.066 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -124.18 144.79 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.876 1.27 . . . . 0.0 112.245 163.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.55 156.43 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.952 -1.092 . . . . 0.0 115.042 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.22 -48.26 24.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 122.056 -0.673 . . . . 0.0 110.903 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt -125.84 116.24 21.25 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.526 1.53 . . . . 0.0 110.742 171.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.36 128.48 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.199 1.4 . . . . 0.0 110.826 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.51 166.7 39.48 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 117.82 1.888 . . . . 0.0 117.82 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.15 38.23 89.0 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.706 1.146 . . . . 0.0 113.67 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 p -114.52 137.44 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.101 1.36 . . . . 0.0 113.485 -167.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 40.8 t -123.57 125.84 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.339 1.455 . . . . 0.0 110.49 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -123.09 123.73 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.706 1.202 . . . . 0.0 110.064 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 126.153 1.781 . . . . 0.0 110.509 170.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -124.95 131.65 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.098 0.959 . . . . 0.0 111.357 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.79 125.75 32.67 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.151 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -125.7 126.96 45.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.205 1.402 . . . . 0.0 111.788 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -129.58 128.77 43.39 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.681 1.192 . . . . 0.0 113.239 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -116.72 109.06 16.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.926 1.29 . . . . 0.0 108.479 162.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 30.3 tp -129.76 122.3 28.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.138 1.375 . . . . 0.0 112.021 -163.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 37.4 t -130.71 119.7 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.351 -0.843 . . . . 0.0 111.414 -169.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' G' ' 32' ' ' ILE . 5.5 t80 -82.58 175.36 10.24 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.676 1.59 . . . . 0.0 113.392 173.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.66 123.94 0.83 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.998 2.119 . . . . 0.0 114.49 -168.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.29 176.45 9.67 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.23 163.35 20.6 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -165.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t0 62.06 86.71 0.11 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.571 2.348 . . . . 0.0 113.313 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.09 122.96 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.48 1.112 . . . . 0.0 111.764 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.83 94.51 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.277 -0.89 . . . . 0.0 113.829 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -154.7 135.47 13.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.281 1.032 . . . . 0.0 110.925 164.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -99.33 128.15 45.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 113.613 170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -126.78 117.54 22.86 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 111.738 165.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.07 80.53 0.19 Allowed Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.876 1.227 . . . . 0.0 114.087 173.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.94 112.57 6.55 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' F' ' 31' ' ' ILE . 1.0 OUTLIER -134.56 158.94 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.032 1.333 . . . . 0.0 113.557 -168.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' E' ' 19' ' ' PHE . 15.7 tt -127.19 147.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 112.24 166.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.04 156.34 24.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 120.744 -1.222 . . . . 0.0 115.244 168.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.3 -48.62 27.25 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.928 -0.748 . . . . 0.0 111.034 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -123.55 119.6 30.39 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.932 1.693 . . . . 0.0 110.106 171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -129.68 109.26 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.373 1.469 . . . . 0.0 109.751 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.02 115.64 1.22 Allowed Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.157 0.884 . . . . 0.0 114.35 -172.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.94 83.91 0.43 Allowed Glycine 0 N--CA 1.475 1.235 0 C-N-CA 124.148 0.88 . . . . 0.0 113.073 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.69 134.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.939 0.896 . . . . 0.0 113.277 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -121.33 125.82 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.588 1.555 . . . . 0.0 110.775 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.03 119.48 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.86 1.264 . . . . 0.0 109.931 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.233 1.813 . . . . 0.0 111.213 -175.354 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.05 129.38 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.884 1.274 . . . . 0.0 111.628 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -128.43 134.23 48.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.274 1.43 . . . . 0.0 113.431 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -124.25 124.44 42.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.523 1.529 . . . . 0.0 110.294 165.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -128.14 126.58 41.36 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.325 1.05 . . . . 0.0 112.863 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -113.45 115.07 27.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.611 1.164 . . . . 0.0 108.198 164.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.89 109.48 9.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.333 1.053 . . . . 0.0 112.226 -164.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -118.85 118.39 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.203 1.001 . . . . 0.0 111.81 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -77.7 175.1 10.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.763 1.625 . . . . 0.0 113.263 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.85 124.03 0.86 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.921 2.488 . . . . 0.0 113.901 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 179.27 7.86 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -168.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.21 160.85 30.38 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -166.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 60.41 88.86 0.08 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.877 2.471 . . . . 0.0 113.636 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.58 123.0 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.412 1.085 . . . . 0.0 111.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.85 97.67 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.434 -0.791 . . . . 0.0 113.872 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -158.77 135.41 9.46 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.095 1.358 . . . . 0.0 111.479 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -99.49 131.73 45.3 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.969 1.308 . . . . 0.0 113.732 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -128.06 115.4 18.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.45 1.1 . . . . 0.0 111.355 164.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.03 85.53 0.09 OUTLIER Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.919 1.247 . . . . 0.0 114.215 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.23 112.55 5.26 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.52 158.82 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.266 . . . . 0.0 113.833 -167.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' F' ' 19' ' ' PHE . 18.9 tt -126.57 148.61 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 166.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.34 156.48 27.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 120.786 -1.196 . . . . 0.0 115.139 167.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.93 -48.7 15.71 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 122.128 -0.631 . . . . 0.0 111.363 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -123.32 119.23 29.49 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.27 1.828 . . . . 0.0 109.78 168.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -133.91 128.15 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.407 1.483 . . . . 0.0 110.715 -172.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 157.41 29.85 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 117.488 1.755 . . . . 0.0 117.488 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 45.74 95.89 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.116 0.865 . . . . 0.0 113.044 -176.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.33 128.71 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.156 1.382 . . . . 0.0 111.011 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.78 121.29 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 110.776 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 58.3 mt -122.65 127.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.831 1.253 . . . . 0.0 110.05 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 C-N-CA 125.844 1.658 . . . . 0.0 110.429 174.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -104.47 123.98 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.733 1.151 . . . . 0.0 112.165 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -120.43 124.36 45.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.135 1.374 . . . . 0.0 112.145 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -110.92 129.66 55.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.976 1.71 . . . . 0.0 110.309 168.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -135.2 128.41 31.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.461 1.104 . . . . 0.0 112.06 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.52 97.73 5.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.097 1.359 . . . . 0.0 109.611 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.16 129.01 43.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.234 1.414 . . . . 0.0 110.655 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.2 110.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.061 0.945 . . . . 0.0 110.381 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.04 175.07 10.92 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.75 1.22 . . . . 0.0 113.009 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.93 122.68 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.986 2.114 . . . . 0.0 114.571 -168.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.57 177.19 9.08 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -168.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.17 159.71 28.4 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 60.91 91.18 0.06 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.186 2.594 . . . . 0.0 113.773 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -131.91 126.43 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.563 1.145 . . . . 0.0 112.365 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -47.15 80.2 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 121.183 -0.948 . . . . 0.0 113.863 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 76.0 p -154.32 135.58 14.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.283 1.033 . . . . 0.0 112.418 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -99.46 134.22 42.65 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.747 1.219 . . . . 0.0 114.282 168.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -128.28 119.96 26.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.92 0.888 . . . . 0.0 111.078 158.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.61 83.24 0.16 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.546 1.069 . . . . 0.0 114.378 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.68 114.29 6.79 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 176.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -133.75 158.73 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.46 1.104 . . . . 0.0 113.637 -171.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -128.67 143.77 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.861 1.265 . . . . 0.0 111.487 165.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.67 155.41 26.28 Favored Glycine 0 N--CA 1.471 1.016 0 O-C-N 120.334 -1.479 . . . . 0.0 115.144 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.11 -48.03 22.22 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 122.115 -0.638 . . . . 0.0 111.123 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -128.35 115.47 18.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.254 1.822 . . . . 0.0 110.783 172.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.88 113.6 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.818 1.647 . . . . 0.0 109.966 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.37 109.1 0.71 Allowed Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.429 1.014 . . . . 0.0 114.181 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.03 0.54 Allowed Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.149 0.881 . . . . 0.0 113.358 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.24 133.21 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.851 1.26 . . . . 0.0 112.129 -177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.73 126.05 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.233 1.413 . . . . 0.0 110.955 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -125.9 129.43 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.396 1.478 . . . . 0.0 110.471 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.015 1.726 . . . . 0.0 111.913 174.614 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.14 127.06 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.727 1.149 . . . . 0.0 111.593 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.51 127.62 44.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 112.199 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -116.91 130.64 56.83 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.407 1.483 . . . . 0.0 111.935 173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -131.88 107.64 8.86 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.752 1.221 . . . . 0.0 112.276 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -95.02 112.97 24.62 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 166.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -132.38 109.54 9.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.439 1.096 . . . . 0.0 112.073 -164.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.61 118.95 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.29 1.036 . . . . 0.0 111.525 -167.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.18 175.18 9.63 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.867 1.667 . . . . 0.0 113.178 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -36.68 123.86 0.83 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.292 2.237 . . . . 0.0 114.774 -169.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.98 177.26 8.94 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.51 161.78 19.4 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -164.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 60.48 89.43 0.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 128.171 2.588 . . . . 0.0 113.793 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.66 125.2 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.415 1.086 . . . . 0.0 112.256 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.2 93.05 Favored Glycine 0 CA--C 1.538 1.524 0 O-C-N 120.992 -1.068 . . . . 0.0 113.728 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -154.77 137.25 15.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.031 0.932 . . . . 0.0 112.105 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -99.31 130.85 45.63 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.475 1.11 . . . . 0.0 113.735 169.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -130.34 118.73 21.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.009 0.924 . . . . 0.0 111.727 165.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.44 79.0 0.22 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.532 1.063 . . . . 0.0 114.076 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.3 114.44 7.42 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.455 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.45 158.85 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.904 1.282 . . . . 0.0 113.606 -169.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 tt -130.69 147.84 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.868 1.267 . . . . 0.0 112.438 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.77 157.45 28.48 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 120.659 -1.275 . . . . 0.0 115.546 167.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.1 -43.67 42.3 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.947 -0.737 . . . . 0.0 111.86 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -127.26 118.33 24.03 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.596 1.558 . . . . 0.0 110.69 168.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -128.48 114.01 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.697 1.599 . . . . 0.0 110.304 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.64 132.33 6.57 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.853 1.216 . . . . 0.0 113.953 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.77 68.09 1.8 Allowed Glycine 0 CA--C 1.535 1.311 0 O-C-N 121.8 -0.824 . . . . 0.0 113.914 171.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.43 131.49 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.321 1.048 . . . . 0.0 111.599 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 124.71 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.408 1.483 . . . . 0.0 110.855 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mt -124.55 126.96 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.089 1.356 . . . . 0.0 110.082 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.875 1.67 . . . . 0.0 111.912 179.477 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -120.84 128.29 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.159 0.984 . . . . 0.0 113.564 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -125.21 131.28 53.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.153 1.781 . . . . 0.0 111.294 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -128.91 130.43 46.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.417 1.087 . . . . 0.0 111.641 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -134.33 125.71 28.17 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -114.73 112.15 22.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.222 1.409 . . . . 0.0 108.759 167.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 26.4 tp -128.68 113.95 16.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.11 1.364 . . . . 0.0 111.247 -169.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -126.24 117.7 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 111.356 -168.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -81.36 175.25 10.73 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.816 1.647 . . . . 0.0 113.19 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -36.75 125.83 0.87 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.424 2.289 . . . . 0.0 114.79 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.06 178.36 8.29 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -169.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.67 164.04 22.48 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.647 1.979 . . . . 0.0 115.971 -166.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.68 83.32 0.12 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.544 2.338 . . . . 0.0 113.428 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -127.06 122.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.247 1.019 . . . . 0.0 111.956 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.78 98.48 Favored Glycine 0 CA--C 1.535 1.291 0 O-C-N 121.361 -0.837 . . . . 0.0 113.819 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 24.2 m -158.36 135.44 9.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.03 1.332 . . . . 0.0 111.263 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -99.37 131.3 45.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.055 1.342 . . . . 0.0 114.125 170.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.46 123.19 37.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.201 1.001 . . . . 0.0 111.333 162.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.46 78.68 0.21 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.313 0.958 . . . . 0.0 114.26 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.78 114.39 7.61 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.453 ' C ' HD12 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -134.85 158.87 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.782 1.233 . . . . 0.0 113.504 -170.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.437 HG13 HG23 ' K' ' 32' ' ' ILE . 18.9 tt -133.83 151.33 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.557 1.143 . . . . 0.0 113.205 167.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.98 161.53 34.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 120.678 -1.264 . . . . 0.0 115.543 167.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -43.65 27.81 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.352 -0.499 . . . . 0.0 111.977 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -127.61 119.94 27.04 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.999 1.72 . . . . 0.0 109.604 168.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.93 118.12 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.02 1.328 . . . . 0.0 110.732 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.17 133.95 6.28 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.929 0.776 . . . . 0.0 114.665 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.09 58.1 11.73 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.497 -1.002 . . . . 0.0 113.686 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -115.84 125.42 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.406 1.082 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.09 121.99 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.102 1.761 . . . . 0.0 110.369 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -129.76 125.87 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.436 1.095 . . . . 0.0 110.95 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.384 1.873 . . . . 0.0 110.866 170.595 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.677 -1.154 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.17 126.59 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.651 1.181 . . . . 0.0 112.577 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -126.21 136.97 53.48 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.011 2.124 . . . . 0.0 111.032 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -140.22 133.81 30.21 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.212 1.005 . . . . 0.0 112.796 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -132.78 125.46 30.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.397 1.479 . . . . 0.0 112.475 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -114.54 106.55 14.4 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.667 1.187 . . . . 0.0 109.412 167.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.73 115.23 21.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.565 1.546 . . . . 0.0 111.513 -168.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -127.85 116.19 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.895 0.878 . . . . 0.0 111.999 -168.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -79.65 175.14 10.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.702 1.601 . . . . 0.0 113.28 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -36.62 127.64 0.83 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.719 2.408 . . . . 0.0 115.419 -167.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.32 9.78 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.08 167.76 18.58 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -165.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 41.1 t0 59.99 81.93 0.17 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.268 2.227 . . . . 0.0 113.213 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -129.66 123.42 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.684 1.194 . . . . 0.0 111.892 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.0 -43.39 97.45 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 113.971 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -158.99 136.68 10.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.354 1.061 . . . . 0.0 112.262 166.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -99.43 134.98 41.51 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -132.36 114.59 14.55 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.32 1.048 . . . . 0.0 111.359 164.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 82.48 0.17 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.022 0.82 . . . . 0.0 114.189 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 116.36 7.78 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.264 0.626 . . . . 0.0 112.416 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.47 ' C ' HD12 ' K' ' 31' ' ' ILE . 0.8 OUTLIER -136.38 158.88 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.649 1.179 . . . . 0.0 113.445 -168.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.475 HG13 HG23 ' L' ' 32' ' ' ILE . 19.3 tt -134.8 153.39 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.436 1.094 . . . . 0.0 112.974 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.4 156.91 28.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 120.544 -1.348 . . . . 0.0 115.253 167.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.11 -41.01 43.74 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.209 0.603 . . . . 0.0 111.305 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -130.8 119.07 21.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.573 1.949 . . . . 0.0 109.519 167.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.44 131.8 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.154 1.382 . . . . 0.0 111.032 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.38 138.49 6.73 Favored Glycine 0 CA--C 1.536 1.376 0 N-CA-C 114.711 0.644 . . . . 0.0 114.711 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.9 64.08 3.94 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.754 -0.851 . . . . 0.0 113.935 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.8 137.83 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.82 122.7 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.447 1.499 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.81 125.37 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.278 1.031 . . . . 0.0 110.707 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.658 1.583 . . . . 0.0 112.067 -176.791 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.77 137.0 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.3 140.46 46.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.788 2.035 . . . . 0.0 111.585 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -141.92 139.99 32.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.358 1.463 . . . . 0.0 111.195 171.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -145.23 130.47 18.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.126 1.37 . . . . 0.0 112.369 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -115.75 123.05 47.29 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.564 1.146 . . . . 0.0 108.811 163.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -133.84 127.35 32.42 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.527 -176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.68 141.48 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.039 0.936 . . . . 0.0 113.006 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -100.66 175.13 5.76 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.527 1.531 . . . . 0.0 111.939 169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.14 139.95 0.65 Allowed 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 -166.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 172.17 14.08 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.104 1.762 . . . . 0.0 115.679 -172.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -73.19 165.04 25.8 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.19 1.796 . . . . 0.0 115.577 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 60.97 87.43 0.09 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.954 2.502 . . . . 0.0 113.481 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -133.28 129.52 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.401 1.48 . . . . 0.0 112.198 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -48.61 66.39 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.918 0.77 . . . . 0.0 113.912 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.0 t -158.78 135.59 9.59 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.755 1.222 . . . . 0.0 110.815 168.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -99.14 137.82 37.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.387 1.075 . . . . 0.0 113.003 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -137.14 125.5 23.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.071 0.949 . . . . 0.0 112.175 170.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 62.52 5.88 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.841 1.21 . . . . 0.0 115.308 169.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 113.96 13.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.255 1.022 . . . . 0.0 111.935 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.427 ' C ' HD12 ' L' ' 31' ' ' ILE . 1.2 pp -135.96 158.91 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.108 1.363 . . . . 0.0 114.081 -166.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.475 HG23 HG13 ' K' ' 32' ' ' ILE . 19.3 tt -139.66 159.08 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.201 1.4 . . . . 0.0 112.414 171.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.04 155.26 20.22 Favored Glycine 0 CA--C 1.533 1.209 0 O-C-N 120.488 -1.383 . . . . 0.0 114.653 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.11 -39.72 60.43 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.564 0.745 . . . . 0.0 111.653 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 7.9 tpt -134.54 117.4 16.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.446 1.898 . . . . 0.0 109.159 166.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.53 139.26 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.869 1.668 . . . . 0.0 111.754 -174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.37 152.89 22.63 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.55 49.42 76.98 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.156 0.884 . . . . 0.0 114.436 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -105.41 135.19 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.454 1.102 . . . . 0.0 112.02 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.89 126.33 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.518 1.527 . . . . 0.0 110.988 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 mt -130.67 130.07 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.275 1.03 . . . . 0.0 110.735 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.078 1.751 . . . . 0.0 111.496 178.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.347 0.118 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -128.47 132.41 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.493 1.517 . . . . 0.0 110.416 169.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -132.76 126.8 33.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.915 1.286 . . . . 0.0 110.465 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -139.1 136.99 35.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.513 1.125 . . . . 0.0 112.929 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.67 133.35 39.97 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.368 1.467 . . . . 0.0 112.378 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 48.35 72.53 0.27 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.993 2.117 . . . . 0.0 114.539 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -90.19 119.32 30.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.943 1.297 . . . . 0.0 109.134 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.75 121.84 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.9 1.28 . . . . 0.0 112.218 -168.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -83.34 175.2 10.05 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 125.793 1.637 . . . . 0.0 113.07 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -36.72 128.59 0.83 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.094 2.558 . . . . 0.0 114.831 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 -179.0 7.04 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.5 168.15 11.48 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.675 2.39 . . . . 0.0 116.11 -172.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 t0 54.52 79.08 0.15 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.225 2.21 . . . . 0.0 114.269 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.23 131.95 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.437 1.495 . . . . 0.0 112.239 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.06 -47.56 18.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.894 0.759 . . . . 0.0 113.363 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -154.38 135.56 13.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.448 1.099 . . . . 0.0 112.678 168.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -99.1 132.85 44.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.812 1.645 . . . . 0.0 113.261 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -132.23 116.32 16.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.589 1.556 . . . . 0.0 111.347 169.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.82 78.48 0.19 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.054 1.311 . . . . 0.0 114.92 174.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 127.23 15.56 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -145.5 158.87 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.924 1.69 . . . . 0.0 114.246 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.26 126.94 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 125.438 1.495 . . . . 0.0 109.982 159.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.41 -168.65 40.11 Favored Glycine 0 N--CA 1.479 1.513 0 C-N-CA 124.335 0.969 . . . . 0.0 112.96 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.92 -29.36 66.5 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.172 1.986 . . . . 0.0 113.063 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 tpt 52.69 68.01 0.9 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.795 1.238 . . . . 0.0 113.207 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -113.62 123.01 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.2 1.4 . . . . 0.0 110.032 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.27 -138.66 11.74 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.026 1.298 . . . . 0.0 113.953 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.49 152.86 22.53 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 116.217 1.247 . . . . 0.0 116.217 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.15 162.05 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.403 1.881 . . . . 0.0 112.877 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -117.97 131.55 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 125.725 1.61 . . . . 0.0 110.627 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.95 132.6 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.724 1.61 . . . . 0.0 110.659 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.102 1.761 . . . . 0.0 111.786 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.91 132.31 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.679 1.191 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -130.05 125.21 34.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.32 1.448 . . . . 0.0 111.616 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -134.67 131.34 37.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.281 1.032 . . . . 0.0 112.377 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.63 124.45 22.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.181 0.992 . . . . 0.0 112.48 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt 57.6 80.43 0.17 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.024 2.129 . . . . 0.0 113.887 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -104.13 115.26 30.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.651 1.58 . . . . 0.0 109.628 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -123.89 113.09 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.634 1.174 . . . . 0.0 111.775 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -74.52 175.21 8.0 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.506 1.522 . . . . 0.0 113.156 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -36.62 127.48 0.84 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.164 2.586 . . . . 0.0 114.812 -169.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 -178.71 7.09 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -167.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.39 170.53 15.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 127.201 2.2 . . . . 0.0 116.555 -168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.67 77.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.875 2.07 . . . . 0.0 113.485 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.17 122.98 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.924 1.29 . . . . 0.0 111.5 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.65 -52.37 39.41 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 121.544 -0.722 . . . . 0.0 112.486 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 66.0 p -149.69 135.53 18.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.652 0.781 . . . . 0.0 113.099 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.14 131.75 44.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.206 1.403 . . . . 0.0 112.581 171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -132.47 114.37 14.23 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.826 1.25 . . . . 0.0 110.868 172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.03 85.96 0.05 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.993 1.282 . . . . 0.0 114.748 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.87 117.22 6.94 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.51 158.67 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tt -117.35 126.29 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.211 1.404 . . . . 0.0 110.532 164.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 -150.51 10.58 Favored Glycine 0 N--CA 1.472 1.068 0 N-CA-C 116.309 1.284 . . . . 0.0 116.309 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.55 -34.36 21.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.125 0.963 . . . . 0.0 112.012 166.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt 56.85 74.37 0.41 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.124 1.37 . . . . 0.0 112.786 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 t -121.37 120.94 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.129 1.372 . . . . 0.0 110.958 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.66 -121.99 4.96 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.858 1.218 . . . . 0.0 112.591 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.93 149.01 10.0 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 116.644 1.418 . . . . 0.0 116.644 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.16 157.94 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.772 1.229 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.15 127.66 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.342 1.057 . . . . 0.0 110.58 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -121.67 120.84 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.409 1.484 . . . . 0.0 109.674 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.528 1.531 . . . . 0.0 110.956 178.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.46 121.55 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.487 1.115 . . . . 0.0 110.482 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -128.74 129.39 45.67 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.548 1.139 . . . . 0.0 112.636 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -132.79 130.99 40.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.445 1.498 . . . . 0.0 112.392 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -131.77 127.68 37.25 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.85 92.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.735 2.014 . . . . 0.0 113.982 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.6 111.43 19.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.917 1.287 . . . . 0.0 109.328 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.99 116.77 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.67 1.188 . . . . 0.0 111.731 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -81.14 175.37 10.71 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.076 1.75 . . . . 0.0 113.54 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -36.68 127.86 0.84 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.755 2.422 . . . . 0.0 114.7 -166.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 179.55 7.75 Favored 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.44 170.12 14.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.965 2.106 . . . . 0.0 116.514 -168.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 60.59 77.88 0.31 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.851 2.061 . . . . 0.0 113.433 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 52.9 t -126.27 124.83 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.293 1.437 . . . . 0.0 111.684 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.35 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.825 0.726 . . . . 0.0 112.599 173.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.9 t -146.69 135.45 22.23 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 167.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.29 132.22 44.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.118 1.367 . . . . 0.0 113.73 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -123.74 116.78 23.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.679 1.192 . . . . 0.0 111.464 161.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.95 85.53 0.11 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.542 1.067 . . . . 0.0 114.569 170.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.65 115.27 8.59 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.433 HD12 ' C ' ' C' ' 31' ' ' ILE . 1.0 OUTLIER -135.91 158.74 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -172.167 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -121.91 127.29 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.369 1.468 . . . . 0.0 110.965 166.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -143.85 7.19 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 114.903 0.721 . . . . 0.0 114.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -85.68 -34.76 21.21 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.199 1.0 . . . . 0.0 111.921 168.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 13.3 tpt 57.35 75.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.183 1.393 . . . . 0.0 112.57 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -122.84 124.28 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.316 1.446 . . . . 0.0 111.246 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.7 -121.02 5.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.938 1.256 . . . . 0.0 112.358 -175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.81 150.27 13.04 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 117.198 1.639 . . . . 0.0 117.198 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.21 153.97 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.64 1.176 . . . . 0.0 112.575 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 89.7 t -120.56 126.9 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.868 1.267 . . . . 0.0 110.708 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mt -126.16 118.9 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.307 1.443 . . . . 0.0 110.193 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 125.839 1.655 . . . . 0.0 111.887 171.694 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.69 128.4 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.131 1.372 . . . . 0.0 110.477 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -127.73 121.0 29.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 111.476 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -131.17 132.59 44.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.21 1.004 . . . . 0.0 112.955 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -132.25 129.51 39.73 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.982 1.313 . . . . 0.0 111.793 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 54.98 83.24 0.09 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.02 2.128 . . . . 0.0 114.066 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.92 116.54 32.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.479 1.512 . . . . 0.0 110.096 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 49.6 t -122.59 114.2 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.893 1.277 . . . . 0.0 111.386 -174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.66 175.32 9.44 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.536 1.534 . . . . 0.0 113.358 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -36.55 127.96 0.81 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.292 2.637 . . . . 0.0 114.573 -169.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.81 -179.89 7.4 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 169.51 15.72 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.168 2.187 . . . . 0.0 116.704 -167.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 59.96 84.4 0.12 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.353 2.261 . . . . 0.0 112.974 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -130.94 125.61 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.884 1.274 . . . . 0.0 111.441 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.28 -69.85 1.24 Allowed Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.735 0.683 . . . . 0.0 111.737 170.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.1 m -135.58 135.32 40.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 169.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 135.27 40.91 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.844 1.257 . . . . 0.0 112.964 167.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -129.17 114.4 16.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.384 1.074 . . . . 0.0 110.135 163.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.8 0.05 OUTLIER Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.141 1.353 . . . . 0.0 115.203 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.2 6.47 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.24 158.77 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -168.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.55 133.05 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.837 1.255 . . . . 0.0 111.607 164.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.79 -144.62 8.21 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 59.4 mt -83.26 -35.98 24.91 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 117.942 0.871 . . . . 0.0 111.334 167.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.7 tpt 57.74 72.17 0.53 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.848 1.259 . . . . 0.0 112.172 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.28 119.34 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.058 1.343 . . . . 0.0 110.985 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.54 -121.16 4.76 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.401 1.477 . . . . 0.0 112.642 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.48 149.74 14.67 Favored Glycine 0 N--CA 1.471 0.986 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 158.57 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.343 1.057 . . . . 0.0 112.524 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.97 126.88 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.464 1.106 . . . . 0.0 111.096 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.89 115.21 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.964 1.306 . . . . 0.0 109.609 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.598 1.559 . . . . 0.0 112.385 177.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.43 130.61 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.595 1.158 . . . . 0.0 110.834 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -129.16 130.44 46.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.791 1.237 . . . . 0.0 112.02 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -129.11 133.46 47.66 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.155 1.382 . . . . 0.0 110.888 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -135.07 116.79 14.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.994 0.918 . . . . 0.0 111.708 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 tttm 63.05 84.19 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.545 1.938 . . . . 0.0 113.708 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.15 116.76 32.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.876 1.671 . . . . 0.0 110.333 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.43 111.7 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.959 1.304 . . . . 0.0 110.971 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -75.68 175.33 8.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.467 1.507 . . . . 0.0 113.124 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -36.54 126.27 0.83 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.821 2.449 . . . . 0.0 114.512 -167.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.33 177.44 8.77 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 -165.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.56 169.0 15.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.965 2.106 . . . . 0.0 116.595 -166.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t0 63.05 87.55 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.142 2.177 . . . . 0.0 112.918 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 32.5 t -134.04 126.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.036 1.335 . . . . 0.0 111.928 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.59 -72.67 0.7 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.062 0.839 . . . . 0.0 111.876 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -136.44 135.3 38.55 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 169.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -99.33 132.62 44.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.262 1.425 . . . . 0.0 113.643 169.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -124.58 114.98 20.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.876 1.27 . . . . 0.0 110.9 162.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.81 85.68 0.08 OUTLIER Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.293 0.949 . . . . 0.0 114.59 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.03 114.17 10.1 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.453 HD12 ' C ' ' E' ' 31' ' ' ILE . 0.8 OUTLIER -137.05 158.74 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -169.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.92 129.94 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.724 1.21 . . . . 0.0 111.717 166.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.18 -145.88 8.91 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 115.013 0.765 . . . . 0.0 115.013 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 46.7 mt -85.56 -39.42 17.4 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.155 0.977 . . . . 0.0 111.665 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt 57.37 77.96 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 0.0 112.533 -174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.26 125.51 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.25 1.42 . . . . 0.0 110.668 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.09 -122.04 5.5 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.158 1.361 . . . . 0.0 112.941 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.75 146.25 10.44 Favored Glycine 0 N--CA 1.473 1.116 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.83 158.02 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.676 1.19 . . . . 0.0 112.461 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 42.6 t -121.46 124.98 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.697 1.199 . . . . 0.0 110.777 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.5 120.36 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.002 1.321 . . . . 0.0 109.671 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 C-N-CA 125.694 1.598 . . . . 0.0 112.912 -176.28 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 t -133.46 131.56 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.743 1.217 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -128.87 135.0 48.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.921 1.288 . . . . 0.0 112.816 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.3 145.13 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -134.94 127.1 29.94 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.86 1.664 . . . . 0.0 111.359 168.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 54.43 86.3 0.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tt -109.05 117.95 35.51 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.966 1.306 . . . . 0.0 109.869 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -121.51 114.46 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.919 1.287 . . . . 0.0 111.234 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.488 ' HE1' HG22 ' G' ' 32' ' ' ILE . 13.9 t80 -77.73 175.26 10.1 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.52 1.528 . . . . 0.0 113.282 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -36.54 125.79 0.83 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.742 2.417 . . . . 0.0 113.827 -169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 179.31 7.68 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -164.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.93 166.49 19.45 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.061 2.144 . . . . 0.0 116.69 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 47.1 t0 60.65 87.99 0.08 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.776 2.43 . . . . 0.0 113.899 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -128.16 123.04 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.866 1.667 . . . . 0.0 110.692 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.01 -61.14 5.74 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.647 -0.658 . . . . 0.0 112.049 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -147.45 135.49 21.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 167.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.19 129.61 45.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.548 1.139 . . . . 0.0 113.339 168.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -119.26 114.51 22.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.116 0.966 . . . . 0.0 110.241 158.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.06 90.92 0.05 OUTLIER Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.265 0.936 . . . . 0.0 114.673 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 113.08 7.55 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.99 0.516 . . . . 0.0 112.298 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.457 ' C ' HD12 ' F' ' 31' ' ' ILE . 0.7 OUTLIER -135.43 158.76 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.121 0.968 . . . . 0.0 113.593 -170.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.522 HG13 HG23 ' G' ' 32' ' ' ILE . 18.1 tt -122.8 130.0 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.517 1.127 . . . . 0.0 111.814 166.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.26 -146.54 9.63 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 44.9 mt -85.63 -46.09 11.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.175 0.987 . . . . 0.0 111.858 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.0 tpp 57.99 83.94 0.11 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.46 1.504 . . . . 0.0 112.173 -168.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -120.47 118.81 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.14 1.376 . . . . 0.0 110.691 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.46 -120.86 4.33 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.062 1.315 . . . . 0.0 112.822 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.1 143.36 7.79 Favored Glycine 0 N--CA 1.472 1.082 0 N-CA-C 116.076 1.191 . . . . 0.0 116.076 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.5 158.55 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.827 1.251 . . . . 0.0 112.843 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.67 126.31 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.899 1.28 . . . . 0.0 111.231 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.1 mt -125.49 122.89 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.615 1.566 . . . . 0.0 109.656 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 C-N-CA 125.779 1.632 . . . . 0.0 113.147 -176.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.51 129.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.723 1.209 . . . . 0.0 110.798 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -129.44 127.84 41.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.961 1.304 . . . . 0.0 112.402 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -124.39 126.28 45.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.507 1.123 . . . . 0.0 111.92 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -125.84 123.56 38.97 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.08 1.352 . . . . 0.0 111.181 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 56.1 71.65 0.54 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.469 1.507 . . . . 0.0 112.66 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 116.82 31.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.431 1.492 . . . . 0.0 109.944 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.75 115.48 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.987 1.315 . . . . 0.0 111.553 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.424 ' CE1' ' CD2' ' H' ' 19' ' ' PHE . 11.7 t80 -81.81 175.34 10.51 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.625 1.57 . . . . 0.0 113.396 175.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -36.66 125.5 0.86 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.863 2.465 . . . . 0.0 114.06 -168.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.25 178.69 8.12 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -165.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.42 166.57 18.43 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -165.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 60.7 87.98 0.09 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.615 2.366 . . . . 0.0 113.832 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.77 142.07 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.71 -69.75 1.32 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.042 0.83 . . . . 0.0 111.725 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -139.12 135.56 34.22 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -99.28 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.121 0.968 . . . . 0.0 113.266 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.74 114.36 20.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.184 0.994 . . . . 0.0 109.723 156.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.02 91.93 0.03 OUTLIER Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 115.381 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.47 116.15 9.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.259 0.624 . . . . 0.0 112.334 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.433 HD12 ' C ' ' G' ' 31' ' ' ILE . 0.8 OUTLIER -136.23 158.64 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.522 HG23 HG13 ' F' ' 32' ' ' ILE . 9.1 tt -120.82 129.46 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.672 1.189 . . . . 0.0 111.019 164.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.27 -146.79 9.48 Favored Glycine 0 N--CA 1.47 0.95 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.72 -45.57 11.53 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 117.941 0.87 . . . . 0.0 111.249 168.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 33.2 tpp 57.34 88.59 0.05 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.225 1.81 . . . . 0.0 112.346 -169.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -126.58 119.72 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.437 1.495 . . . . 0.0 111.303 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.68 -117.06 3.47 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.421 . . . . 0.0 112.682 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 138.65 5.3 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.783 1.073 . . . . 0.0 115.783 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.86 159.71 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.961 1.305 . . . . 0.0 112.363 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -123.45 125.58 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.685 1.194 . . . . 0.0 111.34 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -123.49 126.37 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 125.815 1.646 . . . . 0.0 109.796 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.875 1.67 . . . . 0.0 113.268 -177.556 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.46 124.75 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.694 1.198 . . . . 0.0 109.478 170.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.15 127.11 40.74 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.379 1.071 . . . . 0.0 112.612 -169.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -118.81 128.77 54.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.295 1.438 . . . . 0.0 111.561 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -127.38 120.05 27.59 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.677 1.591 . . . . 0.0 110.719 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 54.76 82.84 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.362 1.465 . . . . 0.0 112.86 -168.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.42 114.79 29.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.952 1.301 . . . . 0.0 109.41 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.71 113.23 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.871 1.268 . . . . 0.0 111.715 -169.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.424 ' CD2' ' CE1' ' G' ' 19' ' ' PHE . 13.7 t80 -78.0 175.43 10.09 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.575 1.55 . . . . 0.0 113.481 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.52 126.34 0.83 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.358 2.663 . . . . 0.0 113.98 -168.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 179.74 7.59 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -166.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.17 165.54 18.06 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -167.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 60.81 84.86 0.12 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.197 2.199 . . . . 0.0 114.056 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -129.66 125.14 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.25 1.02 . . . . 0.0 112.143 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -59.36 7.92 Favored Glycine 0 N--CA 1.474 1.181 0 C-N-CA 123.888 0.756 . . . . 0.0 112.583 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -143.93 135.31 25.82 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 167.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -99.29 133.7 43.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.498 1.119 . . . . 0.0 113.778 167.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -123.19 114.31 20.11 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.814 1.246 . . . . 0.0 109.983 158.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.51 90.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.582 1.087 . . . . 0.0 114.862 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.83 115.28 9.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.181 -0.599 . . . . 0.0 112.458 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.463 HD12 ' C ' ' H' ' 31' ' ' ILE . 0.7 OUTLIER -136.04 158.68 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -172.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 tt -123.57 129.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.852 1.261 . . . . 0.0 111.0 165.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.46 -149.02 12.07 Favored Glycine 0 N--CA 1.472 1.035 0 N-CA-C 115.831 1.093 . . . . 0.0 115.831 -175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 mt -85.59 -40.93 15.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 117.973 0.887 . . . . 0.0 111.82 170.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.1 tpt 60.71 75.6 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.813 1.645 . . . . 0.0 112.723 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.97 127.58 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.517 1.527 . . . . 0.0 111.678 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.36 -123.13 6.93 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.591 1.567 . . . . 0.0 112.802 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.68 136.38 4.15 Favored Glycine 0 N--CA 1.473 1.121 0 CA-C-N 118.22 1.01 . . . . 0.0 115.126 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.18 158.45 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 125.183 1.393 . . . . 0.0 112.225 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.57 124.96 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.604 1.162 . . . . 0.0 111.299 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -121.93 119.29 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.965 1.706 . . . . 0.0 108.908 174.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 125.758 1.623 . . . . 0.0 112.805 -176.699 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.83 129.13 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.478 1.111 . . . . 0.0 111.418 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -125.79 120.08 29.61 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.326 1.45 . . . . 0.0 112.12 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -113.94 128.09 56.25 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.233 1.413 . . . . 0.0 111.875 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.75 130.31 52.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.999 1.32 . . . . 0.0 112.196 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 56.98 69.93 0.7 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.914 1.686 . . . . 0.0 113.286 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -99.88 112.57 24.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.372 1.469 . . . . 0.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.72 119.57 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.718 1.207 . . . . 0.0 112.662 -168.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' J' ' 19' ' ' PHE . 8.9 t80 -82.69 175.39 10.18 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.942 1.697 . . . . 0.0 113.509 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -36.39 122.28 0.74 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.989 2.515 . . . . 0.0 113.848 -167.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.12 178.06 4.04 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.198 1.799 . . . . 0.0 115.49 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 167.82 11.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -166.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 60.48 83.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.301 2.24 . . . . 0.0 114.039 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.2 123.72 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.783 1.233 . . . . 0.0 111.58 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -55.78 17.55 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.571 -0.706 . . . . 0.0 112.837 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -146.35 135.29 22.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 167.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.43 132.54 44.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 113.921 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -120.21 114.37 21.81 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 110.012 156.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.62 94.31 0.03 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.616 1.103 . . . . 0.0 115.085 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.2 117.49 9.6 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.498 HG13 HG23 ' J' ' 31' ' ' ILE . 0.1 OUTLIER -136.38 156.57 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -171.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -122.77 126.13 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.06 1.344 . . . . 0.0 110.923 164.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.37 -155.58 21.6 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 43.0 mt -82.72 -43.07 17.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 117.98 0.89 . . . . 0.0 111.747 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 60.5 tpp 56.62 91.0 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.894 1.678 . . . . 0.0 112.583 -170.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.75 117.95 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.198 1.399 . . . . 0.0 110.607 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.55 -123.54 6.18 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.096 1.331 . . . . 0.0 111.611 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.65 138.21 4.45 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 118.382 1.091 . . . . 0.0 114.896 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.09 165.02 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.191 1.397 . . . . 0.0 111.856 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.61 119.26 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.786 1.234 . . . . 0.0 111.027 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -113.46 125.77 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.75 1.62 . . . . 0.0 108.862 171.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.228 1.411 . . . . 0.0 112.752 179.471 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -132.53 135.08 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.632 1.173 . . . . 0.0 112.306 -173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -123.52 129.9 51.89 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.679 1.592 . . . . 0.0 110.833 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -126.87 135.73 51.38 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.811 1.244 . . . . 0.0 112.487 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -126.3 128.75 47.62 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.512 1.525 . . . . 0.0 112.256 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 60.78 102.94 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.013 2.125 . . . . 0.0 115.001 176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.99 126.63 51.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.31 1.444 . . . . 0.0 109.621 170.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.77 109.29 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 111.104 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.449 ' CD2' ' CE1' ' I' ' 19' ' ' PHE . 15.6 t80 -74.11 175.4 7.51 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.594 1.157 . . . . 0.0 112.982 169.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -36.32 127.57 0.78 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.651 2.38 . . . . 0.0 114.306 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.3 176.89 9.37 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -166.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.81 167.37 15.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -167.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 t0 60.83 84.08 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.532 2.333 . . . . 0.0 113.931 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.72 127.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.968 1.307 . . . . 0.0 112.126 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.89 -59.79 7.18 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 121.678 -0.639 . . . . 0.0 112.698 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 46.4 m -144.33 135.45 25.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.711 0.804 . . . . 0.0 112.861 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.27 135.88 40.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.885 1.274 . . . . 0.0 113.372 166.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -126.35 114.45 18.24 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 109.941 161.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 87.51 0.05 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.67 1.129 . . . . 0.0 115.078 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.78 112.5 11.4 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.363 0.665 . . . . 0.0 111.748 169.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.498 HG23 HG13 ' I' ' 31' ' ' ILE . 8.9 mm -135.72 149.49 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.909 1.284 . . . . 0.0 112.89 -164.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -126.7 126.3 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.654 1.581 . . . . 0.0 111.48 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.3 -157.86 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 115.928 1.131 . . . . 0.0 115.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.57 -33.14 21.79 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.381 -1.07 . . . . 0.0 112.155 174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 70.3 mmm 60.86 57.63 2.56 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.146 1.379 . . . . 0.0 112.737 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.17 129.75 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.276 1.43 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.6 -101.05 2.65 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -164.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.2 158.64 8.54 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.875 1.11 . . . . 0.0 115.875 167.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.625 ' C ' HG21 ' K' ' 39' ' ' VAL . 18.6 m -109.84 118.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -167.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -83.43 128.54 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 119.556 -1.965 . . . . 0.0 110.594 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -129.79 129.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.354 1.462 . . . . 0.0 108.521 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 174.314 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 t -124.73 129.87 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 124.622 1.169 . . . . 0.0 112.165 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -115.87 117.52 30.43 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.009 1.323 . . . . 0.0 111.42 173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -113.2 139.07 49.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.624 1.17 . . . . 0.0 111.557 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -134.3 133.61 40.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.359 1.064 . . . . 0.0 113.001 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 57.9 mttp 55.74 91.78 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.934 2.094 . . . . 0.0 114.719 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.34 120.77 43.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.055 1.342 . . . . 0.0 110.067 171.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -131.16 118.02 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.322 1.049 . . . . 0.0 112.539 -171.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.68 175.14 10.89 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.156 1.383 . . . . 0.0 113.172 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -36.73 128.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.146 2.578 . . . . 0.0 114.467 -171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.23 175.92 10.22 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -166.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.37 171.49 12.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 -165.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 59.7 83.63 0.13 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.365 2.266 . . . . 0.0 113.708 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.16 123.38 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.724 1.209 . . . . 0.0 112.005 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -54.3 33.17 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.565 -0.709 . . . . 0.0 112.435 174.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -150.2 135.48 18.0 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 165.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.19 134.49 41.96 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.283 1.033 . . . . 0.0 112.839 169.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.39 114.33 14.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.894 0.877 . . . . 0.0 110.708 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.24 89.24 0.02 OUTLIER Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.613 1.101 . . . . 0.0 114.611 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.19 112.55 8.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.994 -0.709 . . . . 0.0 112.38 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -132.9 147.38 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.997 1.319 . . . . 0.0 113.163 -163.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -123.16 125.5 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.042 1.337 . . . . 0.0 110.98 164.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.61 178.15 42.51 Favored Glycine 0 N--CA 1.469 0.87 0 N-CA-C 115.494 0.957 . . . . 0.0 115.494 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.82 -41.17 87.94 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.453 -1.028 . . . . 0.0 112.101 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtt 59.16 96.02 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.533 1.933 . . . . 0.0 113.857 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -126.51 109.29 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.353 1.061 . . . . 0.0 110.213 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.73 0.53 Allowed Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.813 1.673 . . . . 0.0 111.825 -171.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.05 150.83 6.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.025 1.297 . . . . 0.0 114.354 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.653 ' C ' HG21 ' L' ' 39' ' ' VAL . 5.1 p -146.81 158.54 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.46 ' H ' HG22 ' K' ' 39' ' ' VAL . 58.0 t -83.1 116.53 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 120.049 -1.657 . . . . 0.0 110.648 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mt -114.72 126.88 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.98 0.912 . . . . 0.0 112.752 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . 0.333 . . . . . . . 0 C--O 1.255 1.38 1 C-N-CA 131.747 4.019 . . . . 0.0 119.097 170.616 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 118.762 -0.637 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.23 145.26 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.509 1.124 . . . . 0.0 111.379 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -135.8 153.65 51.46 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -143.29 144.19 32.01 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.845 1.258 . . . . 0.0 112.305 171.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -137.8 138.96 39.74 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.142 1.377 . . . . 0.0 112.58 -174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.05 70.98 0.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.412 1.885 . . . . 0.0 114.615 173.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.78 121.41 32.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.874 0.87 . . . . 0.0 109.794 169.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.03 131.09 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.172 0.989 . . . . 0.0 113.009 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -94.31 175.01 6.85 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.21 1.404 . . . . 0.0 112.832 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -38.37 138.85 0.43 Allowed 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.65 172.23 13.71 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -167.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.22 170.02 17.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.829 2.452 . . . . 0.0 115.517 -169.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 t0 60.31 83.37 0.14 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.773 2.429 . . . . 0.0 113.528 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.9 129.44 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.567 1.547 . . . . 0.0 112.321 -172.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.24 -62.39 4.46 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.138 0.875 . . . . 0.0 112.857 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 73.9 p -147.69 135.48 21.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.478 0.711 . . . . 0.0 112.548 167.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -99.3 143.03 30.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.956 1.302 . . . . 0.0 113.715 172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -135.21 120.62 19.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.79 1.236 . . . . 0.0 111.255 165.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.6 50.55 58.39 Favored Glycine 0 CA--C 1.54 1.645 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 167.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.27 112.45 25.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.319 1.059 . . . . 0.0 111.429 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mm -133.12 149.56 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.46 1.104 . . . . 0.0 113.204 -164.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 tt -129.57 130.45 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.659 1.584 . . . . 0.0 111.412 168.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.27 179.53 45.88 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 41.2 mt -81.52 -33.28 31.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.615 0.766 . . . . 0.0 112.887 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 56.8 mtt 54.54 84.21 0.07 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.986 2.114 . . . . 0.0 114.959 175.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 t -105.44 128.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.731 1.613 . . . . 0.0 109.998 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.55 -141.74 15.77 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.724 1.154 . . . . 0.0 113.304 -170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.48 142.2 5.35 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 118.537 1.169 . . . . 0.0 115.879 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.66 HG22 ' H ' ' L' ' 40' ' ' VAL . 6.3 p -151.24 168.63 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.66 ' H ' HG22 ' L' ' 39' ' ' VAL . 22.1 t -83.34 136.55 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 125.101 1.36 . . . . 0.0 112.625 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -127.63 137.35 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.531 1.532 . . . . 0.0 110.032 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 126.173 1.789 . . . . 0.0 114.405 -175.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.652 -0.69 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -137.41 135.18 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 124.135 0.974 . . . . 0.0 112.495 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.81 137.05 52.48 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.969 1.308 . . . . 0.0 111.005 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -143.34 129.71 19.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.571 1.148 . . . . 0.0 112.464 -172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -137.62 138.73 39.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.37 1.468 . . . . 0.0 112.316 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -136.95 133.81 36.05 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.229 1.412 . . . . 0.0 113.37 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.32 122.84 45.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.021 1.728 . . . . 0.0 107.816 160.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 t -125.66 129.53 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 124.547 1.139 . . . . 0.0 111.549 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -84.29 174.97 9.72 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.734 2.014 . . . . 0.0 113.767 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -57.81 152.1 16.48 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -165.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.28 -176.63 6.22 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.99 1.716 . . . . 0.0 114.612 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.64 171.01 4.49 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.128 2.171 . . . . 0.0 115.804 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t0 55.01 85.08 0.06 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.239 2.216 . . . . 0.0 115.149 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.77 129.43 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.667 1.187 . . . . 0.0 110.542 167.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.38 67.58 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.523 -0.735 . . . . 0.0 112.914 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -152.65 135.55 15.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.858 1.263 . . . . 0.0 111.221 165.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -99.24 138.67 36.01 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.656 1.582 . . . . 0.0 113.204 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -144.2 118.0 9.3 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.681 168.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.04 73.77 0.55 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.602 1.096 . . . . 0.0 114.176 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.22 128.63 22.69 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.49 158.81 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.381 1.472 . . . . 0.0 113.871 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -113.47 125.92 70.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.67 1.588 . . . . 0.0 109.471 158.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.0 -162.99 35.29 Favored Glycine 0 N--CA 1.476 1.311 0 O-C-N 121.391 -0.818 . . . . 0.0 114.036 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.58 -39.33 17.47 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.707 1.253 . . . . 0.0 112.941 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.0 ttt 56.48 84.72 0.08 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.05 136.47 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.415 1.486 . . . . 0.0 111.639 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.19 -148.07 18.23 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.467 1.508 . . . . 0.0 114.198 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.49 125.89 8.01 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.082 0.849 . . . . 0.0 112.324 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -135.55 130.9 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.652 1.181 . . . . 0.0 111.943 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -123.85 128.87 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.983 1.313 . . . . 0.0 110.619 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.93 117.06 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.753 1.621 . . . . 0.0 109.114 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.851 1.261 . . . . 0.0 112.047 -174.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -133.4 136.13 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.823 0.849 . . . . 0.0 112.613 -171.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -121.45 125.45 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.08 1.352 . . . . 0.0 112.012 170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -124.13 129.71 51.31 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.805 1.642 . . . . 0.0 112.171 176.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -134.67 130.47 36.38 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.161 1.385 . . . . 0.0 111.593 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -138.6 125.3 20.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.968 0.907 . . . . 0.0 112.523 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -116.53 118.9 33.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.303 1.841 . . . . 0.0 109.866 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -122.28 120.63 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.476 1.111 . . . . 0.0 111.644 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -80.67 175.07 11.0 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 131.93 2.63 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.052 2.941 . . . . 0.0 114.775 -167.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.92 -176.42 2.91 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.936 1.694 . . . . 0.0 114.7 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.96 165.24 15.93 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t0 61.01 85.64 0.11 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.588 1.955 . . . . 0.0 114.123 170.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.0 t -127.51 124.96 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.404 1.082 . . . . 0.0 111.074 171.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.34 -53.73 30.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.205 0.907 . . . . 0.0 113.206 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 64.4 p -145.65 135.38 23.4 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.797 0.808 . . . . 0.0 112.646 165.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -99.19 139.1 35.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.212 1.405 . . . . 0.0 113.962 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -136.1 119.75 17.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.161 1.384 . . . . 0.0 110.864 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.51 77.76 0.25 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.991 0.805 . . . . 0.0 114.084 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.87 117.18 9.03 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.449 0.7 . . . . 0.0 112.789 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.99 158.9 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -167.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -116.31 123.12 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.13 1.372 . . . . 0.0 110.454 162.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.38 -161.57 33.24 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 115.924 1.129 . . . . 0.0 115.924 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -85.68 -37.39 19.48 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.859 1.33 . . . . 0.0 113.272 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ttt 58.37 75.38 0.39 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.084 1.354 . . . . 0.0 112.896 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.4 t -120.92 130.64 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.273 1.429 . . . . 0.0 112.303 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.84 -120.42 4.48 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.65 1.119 . . . . 0.0 113.891 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.19 118.38 3.53 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.416 1.484 . . . . 0.0 112.266 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 t -127.47 128.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.058 0.943 . . . . 0.0 112.369 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.74 125.78 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.687 1.195 . . . . 0.0 111.009 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.08 116.01 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 109.465 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.886 -1.054 . . . . 0.0 112.735 -174.315 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.44 138.08 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.386 0.993 . . . . 0.0 112.797 -170.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -123.36 133.12 54.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.558 1.543 . . . . 0.0 112.411 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.03 133.58 47.79 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.123 1.369 . . . . 0.0 112.533 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -135.42 102.56 5.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.618 1.567 . . . . 0.0 111.385 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -109.15 122.34 47.08 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.062 0.945 . . . . 0.0 111.972 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.31 120.24 37.05 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.478 1.911 . . . . 0.0 110.323 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.56 121.44 65.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.571 1.148 . . . . 0.0 111.162 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -81.84 175.25 10.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.663 1.585 . . . . 0.0 114.916 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.62 126.82 0.85 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.051 2.94 . . . . 0.0 114.234 -167.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.16 -176.64 2.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.061 1.744 . . . . 0.0 114.516 -178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.41 163.41 20.9 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 59.02 85.5 0.1 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.042 2.137 . . . . 0.0 114.809 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.02 122.95 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.715 1.206 . . . . 0.0 110.896 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -60.36 6.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.484 1.04 . . . . 0.0 113.321 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 78.1 p -142.54 135.3 28.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.143 0.973 . . . . 0.0 112.941 165.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -99.51 136.52 39.33 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.635 1.574 . . . . 0.0 115.108 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -126.14 120.45 30.16 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.799 1.24 . . . . 0.0 110.065 153.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.86 83.9 0.12 Allowed Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.787 -0.57 . . . . 0.0 113.947 171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.94 112.56 7.2 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -136.56 158.61 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -167.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -121.23 114.77 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.688 1.595 . . . . 0.0 109.466 166.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.35 178.47 40.12 Favored Glycine 0 N--CA 1.469 0.853 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.63 -33.45 64.54 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.349 -1.089 . . . . 0.0 113.646 -173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 24.0 ttt 56.49 76.5 0.29 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.502 1.521 . . . . 0.0 112.462 172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.01 122.33 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.937 1.295 . . . . 0.0 111.978 -169.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.45 -133.63 10.67 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.891 1.234 . . . . 0.0 113.85 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.07 126.51 8.9 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.182 1.372 . . . . 0.0 113.386 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -134.03 131.07 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.007 0.923 . . . . 0.0 112.586 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.74 127.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.436 1.494 . . . . 0.0 110.989 172.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.76 121.38 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.071 1.348 . . . . 0.0 109.689 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.59 1.156 . . . . 0.0 112.87 -174.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.49 131.48 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 119.295 0.952 . . . . 0.0 111.362 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -126.0 123.04 37.6 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.501 1.52 . . . . 0.0 111.722 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -129.33 122.58 29.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.534 1.134 . . . . 0.0 112.768 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -123.6 127.05 47.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.467 1.507 . . . . 0.0 111.567 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -132.09 116.24 16.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.314 1.045 . . . . 0.0 111.097 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.65 125.64 53.13 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.795 2.038 . . . . 0.0 110.532 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 t -124.67 119.85 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.244 1.018 . . . . 0.0 110.887 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.57 175.28 10.01 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.428 1.491 . . . . 0.0 114.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -36.52 126.23 0.83 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.339 3.056 . . . . 0.0 113.76 -170.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.86 -176.51 2.48 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.601 1.56 . . . . 0.0 114.566 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.79 167.11 20.64 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -167.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 54.1 t0 59.87 79.23 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.871 2.068 . . . . 0.0 114.418 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.55 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.984 1.314 . . . . 0.0 110.964 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.78 -54.85 28.34 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.791 0.71 . . . . 0.0 113.022 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -151.12 135.64 17.04 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 168.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -99.2 136.53 39.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.95 1.3 . . . . 0.0 114.203 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -126.37 114.39 18.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.779 0.832 . . . . 0.0 110.232 155.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.34 90.65 0.06 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.274 0.94 . . . . 0.0 114.651 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.28 112.58 6.77 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.989 -0.712 . . . . 0.0 112.413 171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.55 158.64 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -165.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -118.74 129.77 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.296 1.439 . . . . 0.0 110.358 162.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 -176.39 46.6 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 117.98 1.952 . . . . 0.0 117.98 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.1 -43.0 68.56 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.839 -0.801 . . . . 0.0 110.891 168.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 27.7 ttt 57.81 81.27 0.15 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 112.694 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -127.25 129.59 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.201 1.401 . . . . 0.0 112.456 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.99 -119.51 4.26 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 124.445 1.022 . . . . 0.0 113.981 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 118.63 3.65 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.491 1.519 . . . . 0.0 112.707 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.76 126.94 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.286 1.035 . . . . 0.0 111.778 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 36.8 t -123.72 121.05 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.176 1.39 . . . . 0.0 111.345 176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.43 117.54 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.423 1.489 . . . . 0.0 109.235 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.29 1.436 . . . . 0.0 112.261 -172.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.21 129.46 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.135 0.974 . . . . 0.0 110.954 -177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -126.77 125.67 42.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.063 1.345 . . . . 0.0 112.413 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -125.09 125.29 43.55 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.951 1.701 . . . . 0.0 110.9 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -137.26 101.39 4.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.933 1.293 . . . . 0.0 111.725 -171.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -107.84 120.92 43.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.281 1.432 . . . . 0.0 111.561 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -118.29 128.02 54.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.342 1.857 . . . . 0.0 110.989 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.94 121.95 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 0.0 110.93 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -79.35 175.27 10.75 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.156 1.782 . . . . 0.0 114.204 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -36.64 123.56 0.82 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 129.152 2.981 . . . . 0.0 113.677 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -179.65 3.51 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.274 1.829 . . . . 0.0 114.966 -173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.97 169.24 16.33 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 56.2 t0 58.49 87.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.075 2.15 . . . . 0.0 114.163 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -131.13 126.92 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.163 1.385 . . . . 0.0 110.449 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.37 15.17 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.769 -0.582 . . . . 0.0 112.355 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 98.9 p -147.39 137.59 23.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.726 0.81 . . . . 0.0 113.171 167.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -99.1 137.29 37.85 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -130.19 114.44 15.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.334 1.053 . . . . 0.0 110.749 162.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.7 90.84 0.02 OUTLIER Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.675 1.131 . . . . 0.0 115.081 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.88 117.97 9.49 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.595 -0.944 . . . . 0.0 113.011 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.38 158.32 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.67 127.2 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.497 1.519 . . . . 0.0 110.044 161.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.17 -172.57 43.97 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 117.931 1.933 . . . . 0.0 117.931 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -41.91 64.79 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 122.016 -0.696 . . . . 0.0 111.55 174.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 21.7 ttt 57.73 76.61 0.32 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.057 1.743 . . . . 0.0 112.688 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.04 131.15 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.66 -134.91 12.51 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.682 1.134 . . . . 0.0 113.776 173.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.37 116.68 5.51 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.361 1.458 . . . . 0.0 112.974 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.91 123.66 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.336 1.055 . . . . 0.0 111.283 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.7 122.76 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.479 1.512 . . . . 0.0 111.348 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -119.51 115.5 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.569 1.548 . . . . 0.0 108.926 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.694 1.598 . . . . 0.0 111.149 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -115.66 123.65 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.672 1.189 . . . . 0.0 110.36 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -125.42 132.26 52.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.129 1.371 . . . . 0.0 112.241 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -136.36 126.06 25.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.845 1.258 . . . . 0.0 111.992 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -127.91 128.49 45.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.81 1.644 . . . . 0.0 112.068 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -127.79 106.13 8.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.238 1.415 . . . . 0.0 110.622 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.65 122.21 47.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.9 1.68 . . . . 0.0 110.952 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.42 114.1 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.957 1.303 . . . . 0.0 110.592 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.04 175.38 8.23 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 126.032 1.733 . . . . 0.0 113.906 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -36.54 128.41 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 129.013 2.925 . . . . 0.0 114.678 -169.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 178.91 7.79 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -168.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.91 168.19 15.8 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.374 1.869 . . . . 0.0 116.044 -169.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 56.79 89.51 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.057 2.143 . . . . 0.0 114.378 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.86 132.52 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 112.41 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.91 -60.53 7.16 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.335 0.969 . . . . 0.0 112.12 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -138.7 135.28 34.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.348 0.659 . . . . 0.0 112.067 167.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.22 134.59 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.581 1.152 . . . . 0.0 113.433 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -128.73 114.59 16.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.017 1.327 . . . . 0.0 111.599 165.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 79.29 0.21 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 114.515 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.61 115.6 16.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.414 0.685 . . . . 0.0 112.192 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -137.17 155.12 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -167.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.84 128.35 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.731 1.612 . . . . 0.0 110.042 163.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.95 -168.17 40.97 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 118.301 2.081 . . . . 0.0 118.301 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.91 -40.84 45.87 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 122.275 -0.544 . . . . 0.0 111.512 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.0 ttt 56.86 78.33 0.22 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.292 1.837 . . . . 0.0 112.702 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.82 128.12 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.161 1.384 . . . . 0.0 112.521 -168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.41 -124.66 6.96 Favored Glycine 0 N--CA 1.473 1.141 0 C-N-CA 124.341 0.972 . . . . 0.0 113.467 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.62 114.36 3.12 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.542 1.544 . . . . 0.0 113.202 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.2 126.22 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.001 0.92 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.64 118.42 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.633 1.573 . . . . 0.0 110.882 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 86.0 mt -117.39 123.38 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.224 1.41 . . . . 0.0 109.693 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.216 1.807 . . . . 0.0 110.0 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.25 123.47 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.089 0.956 . . . . 0.0 111.043 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -121.95 132.26 54.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.922 1.689 . . . . 0.0 111.945 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -131.68 128.09 38.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.07 1.348 . . . . 0.0 110.882 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -134.63 114.79 13.11 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.108 1.363 . . . . 0.0 112.818 -174.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -101.24 125.46 47.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.3 1.04 . . . . 0.0 110.825 165.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.09 121.67 37.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.318 1.447 . . . . 0.0 110.639 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -118.46 117.04 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.908 1.283 . . . . 0.0 110.383 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.52 175.37 9.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.226 1.81 . . . . 0.0 113.357 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -36.64 131.69 0.67 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.296 2.638 . . . . 0.0 114.398 -169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.05 178.74 7.45 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -167.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.47 166.16 23.17 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -167.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 55.9 t0 58.44 84.44 0.1 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.055 2.142 . . . . 0.0 113.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -131.06 129.73 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.735 0.814 . . . . 0.0 113.192 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.6 -54.12 33.79 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 124.064 0.84 . . . . 0.0 112.573 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -143.58 135.17 26.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.072 0.549 . . . . 0.0 111.773 163.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 128.24 45.4 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.987 1.315 . . . . 0.0 112.861 171.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -121.61 114.54 21.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.254 1.422 . . . . 0.0 110.767 165.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.09 88.25 0.06 OUTLIER Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.659 -0.65 . . . . 0.0 114.305 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.6 114.91 11.69 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.948 -0.737 . . . . 0.0 111.638 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.55 155.2 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -166.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.5 tt -124.4 132.92 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.629 1.572 . . . . 0.0 110.372 163.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.7 -169.1 41.85 Favored Glycine 0 N--CA 1.47 0.919 0 N-CA-C 118.066 1.986 . . . . 0.0 118.066 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.95 -40.85 62.76 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 122.233 -0.569 . . . . 0.0 110.991 170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt 56.85 82.34 0.12 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.853 2.061 . . . . 0.0 113.136 170.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -123.23 130.67 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.008 1.323 . . . . 0.0 112.374 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.09 -122.7 6.43 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.32 0.962 . . . . 0.0 113.688 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.4 120.17 4.1 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.732 1.634 . . . . 0.0 113.405 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.02 127.14 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.11 0.964 . . . . 0.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.83 121.96 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.469 1.508 . . . . 0.0 110.634 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.29 120.76 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.588 1.555 . . . . 0.0 109.175 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 C-N-CA 125.681 1.592 . . . . 0.0 112.045 -179.178 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -103.86 122.54 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.948 1.299 . . . . 0.0 109.263 171.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -133.02 124.71 28.18 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.717 1.207 . . . . 0.0 112.954 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.74 123.36 30.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.97 1.308 . . . . 0.0 111.858 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.57 134.48 54.53 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.258 1.423 . . . . 0.0 112.991 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -128.07 107.05 9.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.44 1.496 . . . . 0.0 110.386 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -118.4 123.07 44.35 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.442 1.497 . . . . 0.0 111.202 -170.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.89 116.69 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.821 1.248 . . . . 0.0 111.091 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -74.41 175.27 7.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.372 1.869 . . . . 0.0 113.226 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -36.67 125.76 0.86 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.764 2.426 . . . . 0.0 114.317 -168.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.86 176.08 9.91 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -166.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.18 166.61 15.87 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.749 2.019 . . . . 0.0 115.871 -167.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.6 t0 59.33 84.21 0.12 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.63 1.972 . . . . 0.0 113.804 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.9 131.5 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.466 1.107 . . . . 0.0 111.447 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.29 -53.95 32.91 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.136 -0.978 . . . . 0.0 112.704 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -149.22 138.5 21.51 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.804 0.842 . . . . 0.0 113.196 166.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -99.3 137.81 37.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.132 0.973 . . . . 0.0 113.585 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -127.69 114.51 17.41 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.765 1.226 . . . . 0.0 110.483 160.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.16 86.97 0.08 OUTLIER Glycine 0 CA--C 1.538 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 114.808 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.9 115.83 16.4 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.956 0.902 . . . . 0.0 111.685 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.67 154.65 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -165.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -129.6 136.15 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.053 1.341 . . . . 0.0 111.115 164.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.22 -169.27 39.0 Favored Glycine 0 N--CA 1.47 0.922 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.79 -44.74 63.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.932 0.493 . . . . 0.0 110.896 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.28 93.39 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.536 2.335 . . . . 0.0 112.855 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 t -124.85 120.13 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.844 1.257 . . . . 0.0 111.514 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.37 -129.64 9.44 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.347 0.975 . . . . 0.0 113.498 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.17 135.41 11.88 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.146 1.355 . . . . 0.0 114.656 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.05 132.11 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.392 1.077 . . . . 0.0 112.842 174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.76 122.86 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.081 1.752 . . . . 0.0 110.611 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.8 113.08 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.471 1.508 . . . . 0.0 109.291 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.138 1.375 . . . . 0.0 111.986 -170.716 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 110.507 -0.183 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -131.87 128.95 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.855 1.262 . . . . 0.0 110.996 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -130.76 129.73 42.85 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.103 1.361 . . . . 0.0 112.618 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -130.11 130.9 45.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.268 1.427 . . . . 0.0 111.23 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -140.4 112.83 7.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.059 0.944 . . . . 0.0 112.816 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -103.05 124.65 48.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.888 0.875 . . . . 0.0 109.834 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.05 121.02 24.28 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.695 1.198 . . . . 0.0 111.001 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.12 115.9 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.945 1.298 . . . . 0.0 110.664 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -75.11 175.29 8.37 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.447 1.499 . . . . 0.0 112.729 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -36.61 127.5 0.84 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.272 2.229 . . . . 0.0 114.792 -166.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 176.63 8.56 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -167.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.3 169.22 9.16 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.91 80.22 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.797 2.039 . . . . 0.0 113.832 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.17 124.4 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.533 1.133 . . . . 0.0 111.578 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.48 85.76 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.159 -0.963 . . . . 0.0 113.155 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.91 135.57 16.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.056 0.942 . . . . 0.0 111.612 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.2 134.21 42.38 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.623 1.169 . . . . 0.0 112.918 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -129.12 117.4 20.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.527 0.731 . . . . 0.0 112.476 163.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.78 86.57 0.1 OUTLIER Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.309 0.956 . . . . 0.0 114.384 172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.02 43.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.918 0.887 . . . . 0.0 112.704 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.67 146.99 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -169.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 tt -123.62 133.55 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.911 1.284 . . . . 0.0 110.832 157.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.34 -168.58 37.37 Favored Glycine 0 N--CA 1.474 1.196 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.78 -48.91 28.15 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 122.271 -0.547 . . . . 0.0 110.918 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.45 106.61 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.437 2.295 . . . . 0.0 114.22 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.4 109.78 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.414 1.485 . . . . 0.0 110.891 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.02 -127.59 5.6 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 124.302 0.953 . . . . 0.0 113.616 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.77 127.78 6.84 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.865 1.222 . . . . 0.0 114.648 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.23 129.42 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.874 1.269 . . . . 0.0 112.508 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t -122.41 124.71 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.806 1.642 . . . . 0.0 110.789 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 68.6 mt -123.68 116.9 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.417 1.487 . . . . 0.0 109.031 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.02 1.328 . . . . 0.0 112.561 -168.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.088 -0.006 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.19 132.96 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.824 1.25 . . . . 0.0 110.923 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -133.24 118.42 18.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.319 1.047 . . . . 0.0 112.518 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -113.36 130.99 56.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.634 1.174 . . . . 0.0 111.998 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.74 134.81 47.83 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.093 1.357 . . . . 0.0 113.355 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -124.67 111.66 15.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.24 1.416 . . . . 0.0 108.938 162.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.23 119.38 32.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.851 1.261 . . . . 0.0 111.042 -173.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -116.61 114.3 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.379 1.472 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.73 175.19 5.15 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.791 1.636 . . . . 0.0 112.512 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -36.78 129.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.525 2.33 . . . . 0.0 114.655 -169.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.3 178.48 8.23 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -165.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.76 170.65 14.86 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -165.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.4 t0 59.5 80.86 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.22 2.208 . . . . 0.0 113.16 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.74 124.69 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.681 1.193 . . . . 0.0 111.939 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -50.93 60.02 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.481 -0.762 . . . . 0.0 112.777 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -151.43 135.46 16.61 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.49 0.716 . . . . 0.0 112.548 164.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -99.15 133.53 43.3 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.828 1.251 . . . . 0.0 112.821 170.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.88 118.33 18.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.212 1.005 . . . . 0.0 112.556 171.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.99 87.37 0.07 OUTLIER Glycine 0 CA--C 1.533 1.163 0 O-C-N 121.273 -0.892 . . . . 0.0 114.388 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.83 133.74 38.15 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 142.48 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -167.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 tt -123.03 130.13 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.64 1.176 . . . . 0.0 110.965 157.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.49 -165.49 32.95 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 117.273 1.669 . . . . 0.0 117.273 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.96 -45.61 34.04 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.157 -0.614 . . . . 0.0 111.504 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttm 50.82 86.7 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.388 2.275 . . . . 0.0 114.262 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.07 121.27 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.424 1.49 . . . . 0.0 111.875 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.66 -108.26 0.94 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.654 1.121 . . . . 0.0 114.143 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.64 135.82 8.35 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.037 1.303 . . . . 0.0 114.239 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.3 118.99 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.01 1.724 . . . . 0.0 110.04 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.78 119.65 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.734 1.214 . . . . 0.0 111.007 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -122.4 114.52 42.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 125.333 1.453 . . . . 0.0 108.928 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 125.593 1.557 . . . . 0.0 110.874 -176.714 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 119.77 -0.157 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 m -130.61 137.02 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.956 0.902 . . . . 0.0 110.854 164.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -137.17 117.16 13.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.836 0.854 . . . . 0.0 112.043 -175.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -111.91 122.79 48.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.483 1.513 . . . . 0.0 110.531 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -131.23 128.35 39.72 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.198 0.999 . . . . 0.0 113.25 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -125.74 114.73 19.02 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.539 1.536 . . . . 0.0 110.216 171.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.99 123.15 36.44 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.816 1.246 . . . . 0.0 111.528 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.84 111.15 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.577 1.551 . . . . 0.0 110.027 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -71.06 175.21 5.38 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.434 1.094 . . . . 0.0 111.982 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -36.61 128.33 0.82 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.352 2.261 . . . . 0.0 114.869 -165.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 175.35 10.17 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -162.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.66 169.52 14.21 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 127.324 2.249 . . . . 0.0 116.174 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 62.0 t0 60.96 81.78 0.18 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.807 2.043 . . . . 0.0 113.112 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.58 128.32 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.077 1.351 . . . . 0.0 111.781 -172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -57.29 12.6 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.321 -0.862 . . . . 0.0 112.654 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 75.2 p -148.99 135.62 19.57 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 168.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -99.3 134.14 42.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -128.83 119.19 24.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.192 0.997 . . . . 0.0 111.578 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.88 86.84 0.1 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.98 0.8 . . . . 0.0 114.017 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.37 134.22 48.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.759 0.824 . . . . 0.0 113.041 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.85 142.45 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -169.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 tt -126.01 131.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.373 1.469 . . . . 0.0 111.428 158.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.39 -156.37 26.92 Favored Glycine 0 N--CA 1.476 1.361 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.5 -43.46 26.9 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.96 -0.73 . . . . 0.0 112.27 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 tpt 52.59 79.87 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.679 1.992 . . . . 0.0 113.877 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.75 120.97 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.995 1.718 . . . . 0.0 112.49 -168.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.07 -147.13 17.09 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.792 1.187 . . . . 0.0 114.483 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.35 119.18 5.18 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.377 0.989 . . . . 0.0 113.29 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -121.68 120.18 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.896 1.278 . . . . 0.0 111.456 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -123.8 126.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.198 1.399 . . . . 0.0 112.12 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.51 128.88 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.764 1.626 . . . . 0.0 110.105 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.552 1.541 . . . . 0.0 112.79 178.139 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.88 135.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 110.424 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.85 135.75 36.49 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -134.45 121.09 20.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.061 1.744 . . . . 0.0 109.921 176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -136.11 128.65 30.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.227 1.011 . . . . 0.0 113.331 -170.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -119.34 129.81 55.03 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.243 1.017 . . . . 0.0 109.932 163.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -133.97 129.59 36.45 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.546 1.138 . . . . 0.0 111.597 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 17.3 t -124.69 115.35 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.753 1.221 . . . . 0.0 110.39 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -75.96 175.19 9.06 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.32 1.048 . . . . 0.0 112.112 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -36.65 131.6 0.68 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -161.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.13 170.39 15.6 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -162.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.24 163.68 22.28 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.232 2.213 . . . . 0.0 115.391 -171.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.46 88.22 0.08 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.641 2.376 . . . . 0.0 113.028 -175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.84 132.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.393 1.477 . . . . 0.0 111.708 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -73.48 0.63 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.409 1.004 . . . . 0.0 112.61 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -137.95 135.45 36.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.342 0.657 . . . . 0.0 112.01 170.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -99.25 137.06 38.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.685 1.194 . . . . 0.0 112.735 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -131.31 114.39 14.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.154 0.981 . . . . 0.0 109.632 164.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.03 90.21 0.07 OUTLIER Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.102 1.334 . . . . 0.0 114.824 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 134.92 51.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.988 1.315 . . . . 0.0 112.484 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.58 141.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -168.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.05 141.18 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 125.641 1.576 . . . . 0.0 110.006 159.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 -159.11 16.16 Favored Glycine 0 CA--C 1.538 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 115.167 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.73 -38.03 39.89 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpt 48.27 73.08 0.23 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.591 1.957 . . . . 0.0 114.531 172.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -103.86 131.04 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.212 1.405 . . . . 0.0 111.969 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.2 -157.93 15.31 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.769 1.176 . . . . 0.0 114.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.77 129.59 9.16 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.609 1.1 . . . . 0.0 113.709 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.94 124.33 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.285 1.434 . . . . 0.0 111.041 174.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.6 124.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.809 1.644 . . . . 0.0 110.079 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -130.44 129.99 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.24 1.416 . . . . 0.0 109.343 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.13 1.772 . . . . 0.0 112.12 178.013 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.34 133.95 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.557 1.543 . . . . 0.0 110.893 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -126.07 143.59 51.06 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 112.019 170.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -139.97 133.69 30.46 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.475 1.51 . . . . 0.0 112.386 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -145.3 152.89 40.63 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp 55.2 71.22 0.56 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.633 1.973 . . . . 0.0 113.704 171.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.9 tp -108.11 126.85 53.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.301 1.441 . . . . 0.0 113.302 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.59 122.04 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 126.387 1.875 . . . . 0.0 111.593 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.02 174.9 8.39 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.948 0.899 . . . . 0.0 112.174 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -53.69 147.85 10.8 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 -162.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -178.93 7.06 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.04 1.736 . . . . 0.0 115.377 -168.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.33 165.08 4.88 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 127.216 2.206 . . . . 0.0 115.762 -173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 58.19 82.9 0.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.083 2.153 . . . . 0.0 115.024 170.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -122.39 129.47 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.901 1.28 . . . . 0.0 111.163 169.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.09 -46.86 48.92 Favored Glycine 0 CA--C 1.536 1.393 0 O-C-N 121.667 -0.646 . . . . 0.0 113.163 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -152.1 135.38 15.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.415 1.086 . . . . 0.0 112.347 165.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -99.33 139.08 35.51 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.607 1.563 . . . . 0.0 113.633 172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.82 114.56 11.21 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.178 1.391 . . . . 0.0 109.143 161.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 82.89 0.15 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.512 1.053 . . . . 0.0 114.249 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.23 118.43 10.75 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.3 pp -141.86 159.04 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.928 1.691 . . . . 0.0 113.398 -175.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.67 127.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 124.773 1.229 . . . . 0.0 110.19 159.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.47 164.61 22.37 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 123.76 0.695 . . . . 0.0 114.247 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -69.69 -22.43 63.42 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -167.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mmm 53.69 54.4 10.0 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.613 1.165 . . . . 0.0 112.938 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.85 141.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.225 1.41 . . . . 0.0 112.97 -175.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.82 -152.94 30.67 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.207 1.384 . . . . 0.0 113.442 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 118.24 5.99 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.769 -0.842 . . . . 0.0 112.1 172.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -136.93 126.66 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.764 1.225 . . . . 0.0 111.689 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.85 132.57 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.283 1.433 . . . . 0.0 113.125 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.79 125.86 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.45 1.9 . . . . 0.0 108.782 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.844 1.658 . . . . 0.0 112.523 -175.403 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -122.68 134.42 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 126.15 1.78 . . . . 0.0 110.003 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -130.74 130.02 43.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.983 0.913 . . . . 0.0 111.49 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -130.6 120.94 24.74 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.086 1.354 . . . . 0.0 112.45 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -134.31 144.55 48.38 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 58.67 87.53 0.07 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.381 1.873 . . . . 0.0 113.556 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.13 122.92 47.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.203 1.801 . . . . 0.0 110.858 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.57 115.59 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.622 1.569 . . . . 0.0 111.273 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -82.27 174.93 10.7 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.422 -0.799 . . . . 0.0 112.568 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -50.25 147.13 4.46 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -160.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.15 -179.69 7.28 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.187 1.795 . . . . 0.0 115.447 -169.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.06 158.26 17.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.803 2.041 . . . . 0.0 115.917 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 t0 60.79 85.56 0.11 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.776 2.03 . . . . 0.0 114.601 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -124.74 123.98 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.686 1.194 . . . . 0.0 110.693 172.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.9 -51.33 54.4 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.548 -0.72 . . . . 0.0 112.899 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 80.9 p -149.96 135.48 18.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.515 165.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -99.34 133.05 44.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.907 1.283 . . . . 0.0 113.416 170.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.6 114.61 16.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.586 1.154 . . . . 0.0 109.86 162.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.71 82.4 0.15 Allowed Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.916 1.246 . . . . 0.0 113.918 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.52 112.56 7.01 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.433 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.1 pp -136.16 158.7 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.589 1.156 . . . . 0.0 113.29 -173.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.92 118.23 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 110.118 162.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.44 154.31 11.6 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 115.041 0.776 . . . . 0.0 115.041 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.76 -33.32 75.36 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.546 -0.973 . . . . 0.0 113.455 -168.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtt 52.79 82.68 0.07 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.476 1.51 . . . . 0.0 112.973 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -129.27 111.79 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.144 0.978 . . . . 0.0 111.398 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.9 -154.37 16.67 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.126 1.346 . . . . 0.0 113.693 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.41 93.67 0.91 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.598 1.094 . . . . 0.0 112.939 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.0 t -113.84 124.76 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.891 1.276 . . . . 0.0 111.025 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 119.03 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.879 1.271 . . . . 0.0 111.159 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.52 123.95 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.379 1.472 . . . . 0.0 109.327 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.605 1.962 . . . . 0.0 111.658 175.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.31 138.71 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.334 1.053 . . . . 0.0 113.781 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.26 133.23 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.344 1.458 . . . . 0.0 111.37 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -126.14 128.85 47.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.679 1.592 . . . . 0.0 111.15 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -135.99 149.1 48.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.809 1.244 . . . . 0.0 113.144 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 58.51 72.58 0.52 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.468 1.507 . . . . 0.0 112.877 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -101.92 114.63 28.9 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.786 2.034 . . . . 0.0 110.349 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.54 117.34 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.133 1.373 . . . . 0.0 111.682 -173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -86.3 174.87 8.77 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -50.35 147.08 4.62 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -159.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.8 -177.14 6.44 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 115.184 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.96 161.96 20.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.611 1.964 . . . . 0.0 115.022 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 53.9 t0 57.86 78.89 0.22 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.26 1.824 . . . . 0.0 114.604 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.29 124.19 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.799 1.24 . . . . 0.0 110.761 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.85 -53.3 38.62 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 123.908 0.766 . . . . 0.0 112.848 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -150.68 135.58 17.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.76 . . . . 0.0 112.657 165.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -99.31 132.22 44.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 113.477 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -126.34 114.53 18.36 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.263 1.025 . . . . 0.0 110.675 161.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.62 85.85 0.1 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.974 1.273 . . . . 0.0 113.909 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.04 112.61 6.86 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.515 ' C ' HD12 ' C' ' 31' ' ' ILE . 0.9 OUTLIER -140.42 158.8 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.169 0.988 . . . . 0.0 113.288 -169.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -121.4 127.28 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.666 1.186 . . . . 0.0 111.365 164.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.81 42.85 Favored Glycine 0 N--CA 1.473 1.136 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -85.67 -35.43 20.91 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.055 1.428 . . . . 0.0 112.594 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp 58.86 71.77 0.57 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.56 1.544 . . . . 0.0 113.159 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -122.25 132.29 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.515 1.526 . . . . 0.0 112.058 -173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.11 -148.25 19.26 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.633 1.111 . . . . 0.0 113.255 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.46 87.59 1.39 Allowed Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.973 1.273 . . . . 0.0 113.259 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -108.58 123.55 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 49.4 t -123.75 123.16 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.814 1.646 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.8 mt -121.66 122.76 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.47 1.508 . . . . 0.0 109.432 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 C-N-CA 126.394 1.878 . . . . 0.0 112.081 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.64 130.14 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.582 1.153 . . . . 0.0 111.589 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -115.68 135.67 53.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.918 1.287 . . . . 0.0 111.96 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -119.44 135.38 54.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.105 1.762 . . . . 0.0 111.513 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -135.44 151.58 50.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.95 1.3 . . . . 0.0 113.163 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 82.0 tttt 66.34 68.09 0.44 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.541 1.536 . . . . 0.0 114.85 163.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -94.44 118.68 32.01 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.51 -1.369 . . . . 0.0 110.187 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.65 110.72 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.114 1.766 . . . . 0.0 111.503 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . 0.315 0.1 OUTLIER -80.79 174.89 11.17 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 174.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -50.36 145.69 6.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -158.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.16 -176.37 6.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.791 1.637 . . . . 0.0 114.916 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -67.61 161.75 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.534 1.933 . . . . 0.0 115.744 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 56.7 t0 57.24 76.58 0.31 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.596 173.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.85 122.93 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.632 1.173 . . . . 0.0 110.433 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.34 -52.37 44.4 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 123.7 0.667 . . . . 0.0 112.528 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -151.24 135.38 16.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.221 1.008 . . . . 0.0 111.631 164.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -99.39 127.28 45.41 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.9 1.28 . . . . 0.0 112.651 169.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -123.33 114.44 20.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 109.78 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.56 84.37 0.09 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.762 1.172 . . . . 0.0 113.871 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.91 112.44 8.25 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -141.41 158.96 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -123.8 127.86 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.752 0.821 . . . . 0.0 112.712 163.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.68 161.05 24.85 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 115.728 1.051 . . . . 0.0 115.728 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.12 -34.0 74.27 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.74 -0.859 . . . . 0.0 113.152 -171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mmm 58.73 74.45 0.44 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.462 1.505 . . . . 0.0 112.741 173.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 39.2 t -123.69 128.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.261 1.424 . . . . 0.0 111.651 -173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.79 -136.64 12.89 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.229 0.918 . . . . 0.0 112.683 -174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.62 97.64 1.74 Allowed Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.033 1.302 . . . . 0.0 113.439 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.2 125.52 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.927 0.891 . . . . 0.0 112.367 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.88 126.53 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.695 1.598 . . . . 0.0 111.685 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -122.2 121.03 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.704 1.602 . . . . 0.0 109.257 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.661 1.584 . . . . 0.0 113.159 -171.09 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.78 124.88 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.764 1.225 . . . . 0.0 111.006 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -117.74 116.01 26.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.447 1.099 . . . . 0.0 111.903 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.25 128.64 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.848 2.059 . . . . 0.0 110.616 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -124.97 144.01 50.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.961 1.304 . . . . 0.0 111.895 172.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . 0.413 0.0 OUTLIER 71.09 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 1 N-CA-C 122.86 4.392 . . . . 0.0 122.86 165.89 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -130.04 108.91 10.45 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.853 1.661 . . . . 0.0 107.756 163.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -120.3 108.02 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.297 1.039 . . . . 0.0 109.702 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.29 174.96 9.53 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.912 0.885 . . . . 0.0 112.926 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -50.7 141.02 13.55 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -162.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 -177.25 6.67 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -168.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -64.57 156.66 29.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.235 1.814 . . . . 0.0 115.544 -168.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 60.56 78.32 0.29 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.504 1.921 . . . . 0.0 113.598 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -118.86 122.95 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.672 1.189 . . . . 0.0 110.561 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -54.15 30.41 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.602 0.62 . . . . 0.0 112.58 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -148.97 135.47 19.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.744 0.817 . . . . 0.0 112.547 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -99.34 130.74 45.64 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.139 0.975 . . . . 0.0 112.763 165.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.59 117.06 24.95 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.689 0.796 . . . . 0.0 110.679 157.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.27 90.52 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.421 1.01 . . . . 0.0 113.887 171.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' F' ' 31' ' ' ILE . . . -141.57 113.31 7.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' E' ' 31' ' ' ILE . 0.2 OUTLIER -136.75 158.85 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -172.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -115.2 129.94 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 110.059 158.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.46 161.09 25.29 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 115.38 0.912 . . . . 0.0 115.38 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 tp -72.15 -35.51 69.07 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.232 -1.158 . . . . 0.0 111.875 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp 56.99 70.97 0.61 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.551 1.541 . . . . 0.0 112.662 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.91 121.91 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.004 1.322 . . . . 0.0 111.495 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 -109.39 2.43 Favored Glycine 0 N--CA 1.473 1.109 0 C-N-CA 124.628 1.109 . . . . 0.0 112.503 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.43 111.77 1.24 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.118 1.342 . . . . 0.0 112.237 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.24 126.07 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.888 0.875 . . . . 0.0 111.905 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.9 122.19 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.346 1.458 . . . . 0.0 110.542 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -121.16 120.57 62.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.386 1.475 . . . . 0.0 109.215 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.428 1.891 . . . . 0.0 111.653 175.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -138.02 128.01 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.658 1.183 . . . . 0.0 111.349 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -119.52 118.28 30.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.049 1.34 . . . . 0.0 111.624 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -121.48 138.49 54.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.437 1.495 . . . . 0.0 113.204 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -126.5 117.74 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.258 2.223 . . . . 0.0 109.645 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.91 -100.14 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -159.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -125.59 127.99 47.21 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -139.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.01 108.99 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.847 1.659 . . . . 0.0 109.516 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.73 174.83 5.51 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.598 1.559 . . . . 0.0 111.216 172.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -52.12 139.48 23.19 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -166.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.36 -176.2 6.14 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -165.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -64.61 154.74 35.44 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.188 1.795 . . . . 0.0 115.515 -168.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t0 60.34 88.7 0.08 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.101 2.16 . . . . 0.0 113.372 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.49 122.96 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.495 1.118 . . . . 0.0 110.976 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.84 -50.16 54.78 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.902 -0.499 . . . . 0.0 112.541 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -153.86 135.56 14.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.659 0.783 . . . . 0.0 112.214 165.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.4 129.31 45.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.417 1.087 . . . . 0.0 112.4 166.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -125.65 114.53 18.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.846 0.858 . . . . 0.0 110.686 163.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.93 88.06 0.07 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.561 1.077 . . . . 0.0 114.117 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.79 113.47 9.64 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.207 0.603 . . . . 0.0 112.149 169.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.452 HG23 HG13 ' E' ' 31' ' ' ILE . 8.9 mm -139.16 149.06 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.465 1.106 . . . . 0.0 113.58 -162.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -116.71 121.7 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.694 1.598 . . . . 0.0 109.401 165.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.73 160.34 25.45 Favored Glycine 0 N--CA 1.473 1.138 0 N-CA-C 116.798 1.479 . . . . 0.0 116.798 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.15 -40.0 78.47 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.436 -1.037 . . . . 0.0 112.129 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 56.4 mtt 58.73 78.96 0.23 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.852 1.661 . . . . 0.0 113.016 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.12 124.98 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.134 1.374 . . . . 0.0 111.538 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.17 -131.24 10.51 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.449 1.024 . . . . 0.0 112.189 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.6 120.08 6.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.638 1.113 . . . . 0.0 112.987 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.54 121.28 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.624 1.17 . . . . 0.0 111.029 176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.73 122.27 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.522 1.529 . . . . 0.0 110.551 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -128.03 125.35 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 109.818 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 113.059 -177.356 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -130.44 132.85 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.741 1.216 . . . . 0.0 110.746 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.54 116.21 25.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.391 1.477 . . . . 0.0 110.495 174.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -131.32 131.36 43.72 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -163.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.03 124.08 51.78 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.202 1.801 . . . . 0.0 110.196 168.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -101.27 -73.76 0.64 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -158.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.97 122.35 22.95 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 120.461 1.482 . . . . 0.0 114.893 -159.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.82 111.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.491 1.516 . . . . 0.0 110.173 167.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.82 175.09 9.06 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.181 1.792 . . . . 0.0 111.031 173.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -55.68 141.84 36.44 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -164.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.24 -177.47 6.66 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -167.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.13 155.73 33.94 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.579 1.951 . . . . 0.0 115.078 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 59.63 89.14 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.035 2.134 . . . . 0.0 113.196 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.77 122.96 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.416 1.086 . . . . 0.0 111.013 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.06 -53.33 34.28 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.647 -0.658 . . . . 0.0 112.44 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -151.82 135.66 16.4 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 165.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -99.34 130.95 45.65 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.191 0.996 . . . . 0.0 112.659 166.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -125.84 114.34 18.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.034 0.934 . . . . 0.0 109.831 162.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.81 88.65 0.05 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.711 1.148 . . . . 0.0 114.737 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.76 112.34 10.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.141 0.576 . . . . 0.0 112.433 168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -137.76 148.4 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -160.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -120.5 122.61 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 125.767 1.627 . . . . 0.0 109.565 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.59 160.87 25.96 Favored Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.993 1.557 . . . . 0.0 116.993 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.59 -40.26 80.57 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.23 -1.159 . . . . 0.0 111.89 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtt 57.81 80.99 0.16 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.145 1.778 . . . . 0.0 113.295 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.31 120.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.085 1.354 . . . . 0.0 111.449 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.79 -114.18 3.67 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.388 0.994 . . . . 0.0 112.583 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.58 110.61 1.42 Allowed Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.291 1.424 . . . . 0.0 112.631 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.66 120.53 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.701 1.2 . . . . 0.0 111.201 -176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.72 119.14 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.817 1.647 . . . . 0.0 110.407 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 67.3 mt -127.33 126.93 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.239 1.416 . . . . 0.0 110.684 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.748 2.019 . . . . 0.0 112.41 178.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -132.17 134.56 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.336 1.054 . . . . 0.0 111.333 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -112.58 132.02 55.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.267 1.827 . . . . 0.0 110.342 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -143.54 134.44 25.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -118.68 115.41 24.45 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.987 1.715 . . . . 0.0 109.79 166.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -90.1 -76.83 0.41 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -124.11 123.79 41.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.508 1.123 . . . . 0.0 113.631 -162.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.94 113.85 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.648 1.579 . . . . 0.0 110.733 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.36 174.99 8.1 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.669 1.988 . . . . 0.0 112.252 173.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -54.78 143.49 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -167.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.09 -177.95 6.81 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.0 156.27 25.13 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -167.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 61.27 84.74 0.13 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.724 2.41 . . . . 0.0 113.988 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.83 123.87 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.482 1.113 . . . . 0.0 111.711 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.13 -55.83 21.66 Favored Glycine 0 CA--C 1.535 1.326 0 O-C-N 121.585 -0.697 . . . . 0.0 112.58 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 77.9 p -149.25 135.45 19.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 166.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -99.28 131.44 45.3 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.257 1.023 . . . . 0.0 112.987 166.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -127.5 114.43 17.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.248 1.019 . . . . 0.0 110.187 163.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 86.09 0.06 OUTLIER Glycine 0 CA--C 1.539 1.594 0 C-N-CA 123.878 0.751 . . . . 0.0 114.529 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.13 116.01 17.87 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.99 0.916 . . . . 0.0 110.81 168.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -140.47 144.84 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.779 1.172 . . . . 0.0 113.975 -164.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -116.2 121.43 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 109.093 163.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.69 156.63 18.64 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 116.691 1.436 . . . . 0.0 116.691 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.11 -36.75 80.24 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.658 -0.907 . . . . 0.0 112.184 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 63.8 mtt 57.23 78.97 0.2 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.056 1.742 . . . . 0.0 113.174 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -119.92 119.86 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.282 1.433 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.48 -129.02 9.76 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.452 1.025 . . . . 0.0 112.382 -173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.54 122.05 7.38 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.124 1.345 . . . . 0.0 113.403 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -129.42 122.25 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.672 1.189 . . . . 0.0 111.037 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.75 122.12 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.432 1.493 . . . . 0.0 110.805 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.88 127.89 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.329 1.451 . . . . 0.0 110.223 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.218 1.807 . . . . 0.0 113.31 -178.177 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 137.78 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.099 1.36 . . . . 0.0 110.327 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -119.39 116.78 26.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.895 1.678 . . . . 0.0 110.958 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -116.89 138.01 51.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.529 1.132 . . . . 0.0 113.668 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -120.42 103.19 8.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.07 1.748 . . . . 0.0 108.064 163.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.23 -61.2 1.82 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -161.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.405 ' C ' HD23 ' I' ' 17' ' ' LEU . 5.7 tt -133.44 121.28 22.02 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.741 1.155 . . . . 0.0 112.609 -167.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.98 112.79 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.249 1.42 . . . . 0.0 110.823 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.68 174.96 5.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.209 1.804 . . . . 0.0 112.077 172.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -55.97 144.42 28.62 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -168.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.99 -178.45 7.13 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -168.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.62 154.07 30.22 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.452 1.901 . . . . 0.0 115.389 -168.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 60.96 94.89 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.775 2.43 . . . . 0.0 113.914 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.5 129.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.493 1.117 . . . . 0.0 111.505 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.0 -66.39 2.44 Favored Glycine 0 CA--C 1.534 1.231 0 O-C-N 121.643 -0.66 . . . . 0.0 111.983 174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -139.83 135.44 32.97 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -99.35 131.3 45.46 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.831 0.852 . . . . 0.0 112.674 164.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -124.09 115.44 21.16 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.972 0.909 . . . . 0.0 110.745 160.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.54 78.73 0.26 Allowed Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.633 -0.667 . . . . 0.0 113.951 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.63 117.43 26.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.086 0.955 . . . . 0.0 110.024 168.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.4 ' HB ' HD12 ' J' ' 31' ' ' ILE . 10.0 mm -140.04 142.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 119.977 1.262 . . . . 0.0 114.334 -166.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.26 120.2 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.278 1.031 . . . . 0.0 109.068 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.95 153.54 12.19 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -67.57 -37.5 82.73 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.806 -0.82 . . . . 0.0 112.156 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.36 83.72 0.09 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.342 1.857 . . . . 0.0 113.19 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.51 118.62 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.709 1.604 . . . . 0.0 110.865 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.33 -112.33 3.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.325 0.964 . . . . 0.0 113.071 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.98 113.34 1.63 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.387 1.47 . . . . 0.0 113.036 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -122.04 122.6 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.789 1.236 . . . . 0.0 111.088 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -123.74 123.89 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 111.223 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.32 127.95 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 109.95 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.164 1.785 . . . . 0.0 112.618 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.379 0.133 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.76 131.51 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.582 1.553 . . . . 0.0 109.816 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -110.28 127.44 55.01 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.221 1.808 . . . . 0.0 111.222 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -136.71 127.39 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -170.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -114.9 108.04 16.2 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.039 1.736 . . . . 0.0 109.596 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -85.77 -79.04 0.25 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tt -114.89 118.68 34.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.395 1.478 . . . . 0.0 112.009 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.25 113.0 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.862 1.265 . . . . 0.0 111.295 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.06 175.09 6.24 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.556 1.542 . . . . 0.0 112.249 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -56.0 146.29 22.9 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.86 -177.37 6.73 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.19 155.61 27.71 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.481 1.912 . . . . 0.0 115.813 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 60.42 82.66 0.15 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.459 2.304 . . . . 0.0 114.279 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.93 122.98 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.471 1.109 . . . . 0.0 111.538 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.5 43.4 Favored Glycine 0 CA--C 1.534 1.271 0 O-C-N 121.513 -0.742 . . . . 0.0 112.762 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -151.26 135.48 16.78 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 122.007 -0.702 . . . . 0.0 112.778 166.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.38 133.48 43.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.087 0.955 . . . . 0.0 112.726 165.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -129.27 114.42 16.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.009 0.923 . . . . 0.0 111.172 163.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.95 84.32 0.1 OUTLIER Glycine 0 CA--C 1.539 1.552 0 C-N-CA 123.97 0.795 . . . . 0.0 114.096 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.8 121.21 27.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 110.951 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.4 HD12 ' HB ' ' I' ' 31' ' ' ILE . 10.2 mm -139.79 139.33 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.6 114.8 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.652 1.181 . . . . 0.0 108.272 164.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.29 151.88 9.49 Favored Glycine 0 N--CA 1.472 1.042 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -173.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.77 -40.79 92.36 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 121.759 -0.848 . . . . 0.0 112.602 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 59.9 mtt 57.91 87.02 0.07 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.346 1.858 . . . . 0.0 113.865 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.28 118.42 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.765 1.626 . . . . 0.0 110.792 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.11 -134.69 11.79 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.542 1.067 . . . . 0.0 112.762 -173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.91 7.74 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.283 1.42 . . . . 0.0 113.646 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.69 121.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.918 1.287 . . . . 0.0 110.4 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.79 124.19 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.646 1.579 . . . . 0.0 111.344 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mt -123.77 126.17 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.315 1.446 . . . . 0.0 110.055 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.545 1.938 . . . . 0.0 112.204 175.56 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.83 140.58 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.298 1.439 . . . . 0.0 110.439 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -117.33 123.84 47.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.359 1.864 . . . . 0.0 110.677 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -131.98 133.52 44.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -117.8 119.34 34.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.407 1.483 . . . . 0.0 111.653 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -93.31 -59.35 2.05 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.97 120.08 19.85 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.84 1.2 . . . . 0.0 112.305 -169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 t -132.54 115.97 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.937 1.295 . . . . 0.0 112.003 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.14 174.99 5.63 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.984 1.314 . . . . 0.0 113.205 173.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -51.29 142.8 12.45 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -171.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.55 -175.35 5.69 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.585 1.554 . . . . 0.0 115.08 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.75 156.14 36.24 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.264 1.826 . . . . 0.0 115.617 -167.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 35.9 t0 60.17 86.17 0.1 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.556 2.342 . . . . 0.0 113.774 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -128.17 125.64 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.88 1.272 . . . . 0.0 111.675 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.25 -51.94 40.03 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.562 -0.711 . . . . 0.0 112.952 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -152.04 135.48 16.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.716 0.806 . . . . 0.0 112.382 166.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -99.36 132.52 44.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.996 0.918 . . . . 0.0 112.928 164.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -127.42 124.11 37.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.512 0.725 . . . . 0.0 111.887 162.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 75.56 0.38 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.821 0.724 . . . . 0.0 114.133 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.43 121.69 37.23 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 110.727 171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -140.83 134.69 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -111.02 114.88 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 162.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.6 155.08 16.72 Favored Glycine 0 N--CA 1.466 0.688 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.5 -39.96 85.18 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.829 -0.807 . . . . 0.0 111.678 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 54.8 mtt 55.38 95.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.708 2.003 . . . . 0.0 113.033 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 t -131.55 112.17 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.014 1.326 . . . . 0.0 110.592 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.34 -105.17 1.19 Allowed Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.344 0.973 . . . . 0.0 113.17 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.0 111.52 0.86 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.941 1.258 . . . . 0.0 113.535 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.56 120.25 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.7 1.2 . . . . 0.0 110.937 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.6 t -123.77 119.09 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.827 1.651 . . . . 0.0 110.87 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.13 122.74 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.119 1.368 . . . . 0.0 110.169 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.805 1.642 . . . . 0.0 113.272 -178.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -132.66 137.15 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 125.664 1.586 . . . . 0.0 111.017 -173.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -111.91 143.72 42.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.289 1.436 . . . . 0.0 113.94 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -143.58 143.27 31.43 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.192 1.397 . . . . 0.0 113.55 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -133.62 130.7 38.67 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.174 1.79 . . . . 0.0 110.92 171.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -106.61 -94.87 0.37 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.43 122.19 39.05 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.391 1.476 . . . . 0.0 111.928 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.54 134.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.957 1.303 . . . . 0.0 113.095 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.28 174.99 9.19 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.795 1.238 . . . . 0.0 111.396 163.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.13 146.0 3.83 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -170.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.06 179.23 5.12 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.788 2.035 . . . . 0.0 114.87 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.43 156.48 15.94 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.624 1.97 . . . . 0.0 115.168 -170.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 t0 60.18 87.78 0.08 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.041 2.536 . . . . 0.0 114.176 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 96.0 t -128.46 124.62 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.5 -51.5 53.84 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.554 -0.716 . . . . 0.0 113.043 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.6 t -155.94 135.37 12.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.038 0.935 . . . . 0.0 111.421 166.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -99.29 138.45 36.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.073 1.349 . . . . 0.0 113.072 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -140.15 116.75 10.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.199 1.0 . . . . 0.0 111.355 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.21 66.43 2.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.369 0.985 . . . . 0.0 115.052 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.3 116.2 26.28 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.942 1.297 . . . . 0.0 111.157 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 mm -132.26 143.23 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -166.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -124.33 121.53 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.059 1.744 . . . . 0.0 108.777 166.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.84 171.95 39.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -82.42 -33.75 28.5 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.096 0.958 . . . . 0.0 112.399 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 32.6 ttm 58.97 64.43 1.41 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.288 1.835 . . . . 0.0 114.304 168.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.49 131.91 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 127.021 2.128 . . . . 0.0 111.619 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.24 -145.08 22.95 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 123.94 0.781 . . . . 0.0 113.217 -174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.86 135.65 13.57 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.548 1.07 . . . . 0.0 114.159 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.2 127.42 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.65 1.18 . . . . 0.0 111.362 171.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.94 123.54 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.866 1.667 . . . . 0.0 110.065 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -130.4 130.82 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.73 1.212 . . . . 0.0 109.651 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.134 1.774 . . . . 0.0 112.269 176.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -130.04 133.5 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 110.896 170.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -137.14 137.01 38.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.343 1.457 . . . . 0.0 111.461 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -141.76 130.41 22.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.944 0.898 . . . . 0.0 112.781 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -122.09 124.42 43.88 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.609 1.964 . . . . 0.0 109.022 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 73.7 tttt -92.85 -104.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -168.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.03 144.7 50.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -161.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.47 123.69 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.828 1.651 . . . . 0.0 110.954 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.56 172.88 7.79 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 124.06 0.944 . . . . 0.0 112.958 173.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -57.26 154.12 10.94 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -166.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 -179.62 7.46 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 166.53 7.69 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 127.326 2.25 . . . . 0.0 115.837 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.5 t0 55.96 87.93 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.881 2.072 . . . . 0.0 114.181 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.33 146.9 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.132 0.973 . . . . 0.0 112.55 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -48.01 17.52 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 121.944 -0.473 . . . . 0.0 112.472 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.7 p -155.94 136.63 13.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 168.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -99.11 131.56 45.06 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.862 1.265 . . . . 0.0 112.637 167.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -132.7 114.7 14.47 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.387 1.475 . . . . 0.0 110.362 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.25 83.15 0.18 Allowed Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.187 0.899 . . . . 0.0 115.009 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.38 112.14 18.63 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 160.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -145.65 154.2 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -160.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 pt -125.69 151.95 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.452 1.501 . . . . 0.0 112.171 165.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 159.47 22.55 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.345 -0.847 . . . . 0.0 114.861 169.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.2 -48.78 64.3 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.138 -1.213 . . . . 0.0 111.014 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 tpt -126.15 118.7 25.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.007 1.723 . . . . 0.0 109.974 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.2 128.62 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.355 1.462 . . . . 0.0 110.89 -173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.99 170.73 43.53 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.566 1.386 . . . . 0.0 116.566 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.02 34.58 76.76 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.083 0.849 . . . . 0.0 113.35 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.69 128.37 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.117 1.367 . . . . 0.0 111.158 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.89 125.6 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.301 1.44 . . . . 0.0 110.17 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -123.08 128.74 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 125.408 1.483 . . . . 0.0 109.79 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.694 1.998 . . . . 0.0 110.512 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.87 124.83 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.245 1.018 . . . . 0.0 111.24 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.22 124.34 42.24 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.469 1.508 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -128.8 134.88 48.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 113.232 -174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -130.54 117.42 19.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.964 1.705 . . . . 0.0 110.162 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . 0.278 73.6 tttt -86.24 -93.29 0.09 Allowed 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -133.88 141.55 47.42 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -160.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.21 121.7 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.241 1.417 . . . . 0.0 110.83 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.2 174.05 5.06 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.16 0.984 . . . . 0.0 113.011 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -54.28 149.2 10.25 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -179.63 6.55 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.849 1.66 . . . . 0.0 114.618 -173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.73 162.93 14.93 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -171.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t0 60.75 80.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.252 1.821 . . . . 0.0 113.04 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.9 t -127.88 123.31 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.946 0.898 . . . . 0.0 111.452 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -49.66 70.56 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 121.536 -0.728 . . . . 0.0 112.518 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -149.06 135.66 19.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 163.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -98.96 128.34 45.09 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 111.679 168.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -126.53 114.36 18.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.722 1.209 . . . . 0.0 110.387 165.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.9 87.1 0.07 OUTLIER Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.38 0.99 . . . . 0.0 114.773 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 112.34 18.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.07 0.948 . . . . 0.0 109.31 163.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -144.78 149.04 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -160.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 pt -119.18 148.38 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.764 0.826 . . . . 0.0 112.324 162.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 153.65 12.87 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.61 -46.44 88.28 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.631 -0.923 . . . . 0.0 110.322 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 123.76 45.05 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.404 1.482 . . . . 0.0 110.532 170.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.64 128.48 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.406 1.482 . . . . 0.0 110.182 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.66 152.17 16.99 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.49 54.77 11.56 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.701 -0.882 . . . . 0.0 111.898 -169.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.18 124.11 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.169 1.388 . . . . 0.0 110.904 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.66 123.54 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.334 1.454 . . . . 0.0 110.993 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.4 mt -124.11 126.77 72.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.562 1.545 . . . . 0.0 109.87 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.612 1.965 . . . . 0.0 111.512 177.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.12 126.72 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.868 1.267 . . . . 0.0 110.429 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -125.06 126.3 45.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.72 1.608 . . . . 0.0 111.481 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 126.27 29.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.567 1.147 . . . . 0.0 112.885 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -120.75 115.81 24.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.221 1.808 . . . . 0.0 110.222 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . 0.279 72.5 tttt -84.81 -85.95 0.13 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -166.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -133.97 140.48 46.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -164.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -125.53 120.51 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.267 1.427 . . . . 0.0 110.689 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.7 174.99 3.8 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.741 1.217 . . . . 0.0 112.957 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -53.46 147.65 10.44 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -166.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -178.71 6.75 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.702 1.601 . . . . 0.0 114.665 -171.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 159.93 29.36 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 57.57 81.87 0.14 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.328 1.851 . . . . 0.0 113.609 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.73 126.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.376 1.07 . . . . 0.0 111.11 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -58.11 13.42 Favored Glycine 0 CA--C 1.534 1.235 0 O-C-N 121.561 -0.712 . . . . 0.0 112.169 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -144.27 135.51 25.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.596 0.759 . . . . 0.0 112.261 167.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -99.1 128.18 45.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.024 0.93 . . . . 0.0 112.096 166.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -123.42 114.4 20.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.388 1.075 . . . . 0.0 110.248 162.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 85.46 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.268 0.937 . . . . 0.0 114.604 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.44 112.09 19.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.698 0.799 . . . . 0.0 109.439 164.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 mm -141.59 148.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -161.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -121.44 141.97 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.629 0.772 . . . . 0.0 110.713 162.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.72 8.87 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 167.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.4 92.09 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 121.933 -0.745 . . . . 0.0 110.246 -176.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ttt -117.78 128.52 54.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.831 1.252 . . . . 0.0 111.349 165.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.55 109.68 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.461 1.504 . . . . 0.0 110.055 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.29 120.57 2.01 Favored Glycine 0 N--CA 1.476 1.329 0 C-N-CA 123.592 0.615 . . . . 0.0 114.249 -173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.87 82.71 0.65 Allowed Glycine 0 N--CA 1.474 1.191 0 O-C-N 121.807 -0.819 . . . . 0.0 112.902 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.85 128.59 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.547 1.139 . . . . 0.0 111.455 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.71 125.51 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 0.0 111.501 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.53 118.53 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.248 1.419 . . . . 0.0 109.528 168.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 126.031 1.732 . . . . 0.0 112.326 176.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.18 131.86 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.542 1.137 . . . . 0.0 112.104 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -123.85 134.65 53.54 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.96 1.704 . . . . 0.0 111.162 174.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -142.33 135.2 28.45 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -172.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -124.62 120.03 30.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.393 1.877 . . . . 0.0 109.528 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . 0.256 53.5 tttm -86.2 -78.95 0.26 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -171.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -133.97 137.85 45.07 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 -166.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.18 118.91 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 110.755 173.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 174.83 4.85 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 125.398 1.479 . . . . 0.0 112.282 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -54.14 147.44 12.89 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.18 -177.22 5.55 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.958 1.703 . . . . 0.0 114.921 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.92 164.38 26.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -168.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.7 t0 56.71 73.82 0.43 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.185 1.794 . . . . 0.0 113.121 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 57.3 t -124.89 124.12 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.746 1.218 . . . . 0.0 111.327 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.83 -50.7 57.05 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.487 -0.758 . . . . 0.0 113.243 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.31 135.78 14.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.995 0.918 . . . . 0.0 113.085 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -99.15 129.23 45.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.306 1.042 . . . . 0.0 112.457 166.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -120.08 114.37 21.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.184 0.994 . . . . 0.0 110.018 159.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.33 91.75 0.05 OUTLIER Glycine 0 CA--C 1.537 1.469 0 C-N-CA 124.365 0.983 . . . . 0.0 114.921 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.46 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -124.75 119.71 29.69 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.765 1.226 . . . . 0.0 109.205 166.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.46 HD13 ' O ' ' D' ' 30' ' ' ALA . 6.6 mm -145.68 149.26 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.408 HG22 HG12 ' E' ' 32' ' ' ILE . 3.5 pt -121.28 148.29 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.296 1.039 . . . . 0.0 112.253 159.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 160.9 29.62 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.044 1.178 . . . . 0.0 116.044 167.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -72.79 -48.12 40.79 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.291 -1.123 . . . . 0.0 110.984 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.0 tpt -124.91 114.74 19.58 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.627 1.571 . . . . 0.0 110.137 174.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.24 125.9 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.626 1.57 . . . . 0.0 110.654 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.42 167.92 40.59 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 118.44 2.136 . . . . 0.0 118.44 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.32 52.93 45.95 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.921 0.772 . . . . 0.0 112.289 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -111.93 126.21 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.9 1.28 . . . . 0.0 111.332 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -121.82 123.7 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.894 1.278 . . . . 0.0 110.682 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 78.3 mt -124.8 113.5 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.539 1.536 . . . . 0.0 109.129 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 C-N-CA 125.168 1.387 . . . . 0.0 112.279 -172.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.52 132.69 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.991 1.316 . . . . 0.0 111.059 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -129.91 122.25 28.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.297 1.439 . . . . 0.0 112.495 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -122.73 137.47 54.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.96 1.304 . . . . 0.0 113.337 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -137.02 91.66 2.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.444 1.898 . . . . 0.0 108.992 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -74.75 -75.94 0.15 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -159.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.97 139.69 46.26 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -165.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -131.88 125.0 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 111.812 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -71.99 174.93 6.35 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.588 1.155 . . . . 0.0 113.185 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -53.16 147.79 9.3 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.32 -178.44 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.31 1.844 . . . . 0.0 114.692 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.01 165.35 25.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 -168.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 58.01 74.63 0.42 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.201 1.8 . . . . 0.0 113.074 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.45 126.14 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.748 1.219 . . . . 0.0 111.597 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.41 -55.64 19.72 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.499 -0.751 . . . . 0.0 113.183 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -150.8 138.09 19.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -99.25 129.82 45.5 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.071 . . . . 0.0 113.032 166.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -120.35 114.51 21.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.991 0.916 . . . . 0.0 109.956 157.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 88.43 0.07 OUTLIER Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.165 0.888 . . . . 0.0 114.87 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.97 112.89 19.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.419 1.088 . . . . 0.0 109.266 165.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.84 143.26 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -162.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.446 HG22 HG13 ' F' ' 32' ' ' ILE . 3.1 pt -117.18 150.86 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.131 0.572 . . . . 0.0 112.288 161.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.84 156.57 23.0 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 116.227 1.251 . . . . 0.0 116.227 164.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.86 -44.69 72.84 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.76 -0.847 . . . . 0.0 110.896 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 23.9 ttt -125.42 122.89 38.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.076 1.75 . . . . 0.0 110.895 169.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.14 130.52 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.73 147.09 11.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 117.076 1.591 . . . . 0.0 117.076 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.43 54.71 6.57 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.842 -0.799 . . . . 0.0 112.484 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -110.75 126.83 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.832 1.253 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 t -123.41 123.53 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.09 1.356 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.85 117.98 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.465 1.506 . . . . 0.0 109.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.248 1.419 . . . . 0.0 111.683 -177.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.11 131.93 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.521 1.128 . . . . 0.0 112.12 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -119.27 128.87 54.57 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.288 1.435 . . . . 0.0 111.028 166.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -132.22 127.77 36.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.18 0.992 . . . . 0.0 112.737 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -123.41 120.4 32.88 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.181 1.792 . . . . 0.0 109.968 172.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . 0.271 66.9 tttt -91.32 -79.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.34 136.84 45.62 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -166.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -129.9 119.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.934 1.294 . . . . 0.0 111.018 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.26 174.93 4.24 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.743 1.217 . . . . 0.0 113.155 172.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -54.07 147.37 12.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.48 179.11 7.24 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.632 1.573 . . . . 0.0 114.612 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.38 168.04 15.24 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -168.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 58.55 76.14 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.071 1.748 . . . . 0.0 112.758 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.12 134.68 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.323 1.049 . . . . 0.0 111.761 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.96 -74.48 0.55 Allowed Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.432 0.539 . . . . 0.0 112.212 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -136.2 135.41 39.1 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -99.26 129.17 45.47 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.727 1.211 . . . . 0.0 112.775 166.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -119.63 114.51 22.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.739 0.816 . . . . 0.0 110.153 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.28 89.85 0.06 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.341 0.972 . . . . 0.0 114.69 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.57 112.33 20.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 108.814 164.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -137.28 141.54 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.446 HG13 HG22 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -124.87 147.86 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.177 0.991 . . . . 0.0 111.725 166.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.56 161.54 28.89 Favored Glycine 0 N--CA 1.469 0.896 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.85 -44.35 63.98 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.688 -0.89 . . . . 0.0 110.91 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.28 122.28 33.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.689 1.595 . . . . 0.0 111.062 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -125.88 112.68 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 109.986 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.82 106.34 0.59 Allowed Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.683 1.135 . . . . 0.0 113.5 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 89.47 1.41 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 124.581 1.086 . . . . 0.0 113.795 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -136.85 129.97 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.229 1.412 . . . . 0.0 110.856 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -122.78 124.87 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.263 1.425 . . . . 0.0 110.88 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 64.5 mt -125.66 121.39 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.575 1.55 . . . . 0.0 109.592 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.302 1.441 . . . . 0.0 112.905 -173.251 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.99 132.34 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.826 1.25 . . . . 0.0 111.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -126.61 126.18 43.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.844 1.658 . . . . 0.0 110.941 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -133.97 132.79 40.57 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -175.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -121.66 118.13 28.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.36 1.864 . . . . 0.0 110.344 166.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -81.64 -77.45 0.22 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.59 132.46 40.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -165.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -121.97 117.25 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.132 1.373 . . . . 0.0 110.54 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.3 174.97 4.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.879 1.672 . . . . 0.0 112.086 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -53.76 145.65 15.34 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -165.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.14 -178.85 7.09 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.573 1.549 . . . . 0.0 114.835 -170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.42 164.02 25.5 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -168.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.43 76.97 0.29 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.427 1.891 . . . . 0.0 113.446 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.8 125.75 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.065 0.946 . . . . 0.0 111.104 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.48 -60.89 6.82 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.3 0.476 . . . . 0.0 112.228 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -142.16 135.33 28.9 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.281 0.632 . . . . 0.0 112.514 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -99.09 130.93 45.45 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.6 1.16 . . . . 0.0 112.359 166.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -125.56 114.44 18.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.071 0.948 . . . . 0.0 110.377 164.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.56 79.13 0.18 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.168 0.89 . . . . 0.0 114.458 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.41 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -108.59 122.34 46.88 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.085 -0.96 . . . . 0.0 108.464 164.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.41 HD13 ' O ' ' G' ' 30' ' ' ALA . 8.9 mm -143.88 139.08 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -168.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.66 148.02 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.659 -0.651 . . . . 0.0 111.994 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.62 159.19 23.57 Favored Glycine 0 N--CA 1.473 1.118 0 N-CA-C 116.471 1.348 . . . . 0.0 116.471 169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.75 -44.2 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.468 -1.019 . . . . 0.0 111.691 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.21 118.37 25.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.817 1.647 . . . . 0.0 110.231 172.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.22 130.4 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.111 1.364 . . . . 0.0 111.006 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 162.35 35.76 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.55 42.67 99.68 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.071 0.843 . . . . 0.0 113.101 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.75 123.1 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.613 1.165 . . . . 0.0 110.403 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.74 119.05 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.085 1.354 . . . . 0.0 110.88 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.4 mt -121.02 124.3 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.468 1.507 . . . . 0.0 109.762 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 C-N-CA 126.322 1.849 . . . . 0.0 112.17 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.4 121.75 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.074 1.35 . . . . 0.0 110.237 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -116.86 127.28 54.13 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.304 1.442 . . . . 0.0 110.722 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -134.29 134.02 41.4 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -124.79 113.64 18.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.924 1.69 . . . . 0.0 109.978 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.58 -66.87 0.85 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tt -133.96 133.73 41.72 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -173.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.99 118.42 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 110.665 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.51 175.12 8.08 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.423 1.889 . . . . 0.0 112.086 176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -48.27 138.54 9.66 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -166.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 177.88 7.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.802 1.641 . . . . 0.0 114.382 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.31 163.74 24.42 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -166.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 37.8 t0 59.72 82.01 0.16 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.776 2.03 . . . . 0.0 113.52 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -129.7 126.0 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.398 1.079 . . . . 0.0 111.526 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.95 -54.61 29.54 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 121.571 -0.706 . . . . 0.0 112.683 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 72.0 p -151.54 135.61 16.62 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -99.28 130.78 45.59 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.379 1.072 . . . . 0.0 112.719 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -122.24 114.38 20.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.898 0.879 . . . . 0.0 109.382 160.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.29 93.47 0.05 OUTLIER Glycine 0 CA--C 1.535 1.281 0 C-N-CA 123.967 0.794 . . . . 0.0 115.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.98 120.75 32.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.239 1.416 . . . . 0.0 108.967 166.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -139.5 138.35 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -169.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.23 147.0 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.638 -0.664 . . . . 0.0 111.066 160.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.86 158.26 27.07 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 115.949 1.139 . . . . 0.0 115.949 169.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 tp -73.33 -47.34 43.32 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.975 -0.721 . . . . 0.0 111.132 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 92.0 mtp -118.96 120.18 36.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.692 1.597 . . . . 0.0 110.413 169.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.53 110.57 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.206 1.402 . . . . 0.0 109.849 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.83 117.82 1.47 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.29 0.948 . . . . 0.0 114.288 -171.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 82.19 0.64 Allowed Glycine 0 N--CA 1.475 1.249 0 CA-C-N 117.833 0.816 . . . . 0.0 112.802 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -136.48 129.69 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.299 1.04 . . . . 0.0 111.045 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 t -123.79 126.05 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.322 1.449 . . . . 0.0 111.815 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.77 126.71 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.295 1.438 . . . . 0.0 109.781 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 C-N-CA 126.314 1.846 . . . . 0.0 112.459 179.459 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.45 134.47 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.574 1.15 . . . . 0.0 112.458 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -123.03 125.92 46.14 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.762 1.625 . . . . 0.0 110.67 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -135.79 129.21 32.15 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -125.65 108.21 11.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.211 1.804 . . . . 0.0 109.268 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . 0.259 82.9 tttt -82.54 -77.85 0.22 Allowed 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -167.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tt -122.83 130.58 53.06 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.232 1.378 . . . . 0.0 114.563 -171.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.49 113.41 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.717 1.607 . . . . 0.0 110.212 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -72.31 174.96 6.57 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 126.196 1.798 . . . . 0.0 111.103 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -51.87 143.9 12.49 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -161.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.03 177.45 8.83 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.879 1.671 . . . . 0.0 115.241 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.2 162.96 27.41 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -167.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.01 81.59 0.15 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.723 2.009 . . . . 0.0 113.583 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.4 t -126.41 124.66 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.145 0.978 . . . . 0.0 111.205 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.91 -51.15 59.08 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.705 -0.622 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.6 p -153.26 135.65 15.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.063 0.945 . . . . 0.0 112.392 165.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -99.17 133.41 43.49 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.825 0.85 . . . . 0.0 112.335 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -129.82 114.46 15.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.923 0.889 . . . . 0.0 110.926 166.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.81 84.61 0.09 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.467 1.032 . . . . 0.0 114.417 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.28 133.61 55.74 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.391 1.476 . . . . 0.0 110.872 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mm -145.57 147.24 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -133.51 150.83 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.246 -0.909 . . . . 0.0 111.617 157.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.61 165.96 36.54 Favored Glycine 0 N--CA 1.479 1.529 0 N-CA-C 118.197 2.039 . . . . 0.0 118.197 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -48.68 24.03 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.295 -1.121 . . . . 0.0 110.737 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 96.1 mtp -127.77 114.29 17.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.794 2.038 . . . . 0.0 109.774 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.81 128.65 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.693 1.197 . . . . 0.0 111.079 -173.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.15 37.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 41.4 99.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.943 0.783 . . . . 0.0 112.985 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.48 127.62 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.6 1.16 . . . . 0.0 110.921 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.77 122.3 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.292 1.437 . . . . 0.0 110.815 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 55.5 mt -125.22 120.33 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.306 1.442 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.926 1.69 . . . . 0.0 112.529 -176.127 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 110.765 -0.087 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.12 129.56 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.723 1.209 . . . . 0.0 110.883 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -121.21 127.39 51.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.948 1.699 . . . . 0.0 109.681 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -136.59 132.98 35.86 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -173.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -122.15 113.63 19.76 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.704 2.002 . . . . 0.0 109.673 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.49 -71.51 0.53 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -130.44 132.82 45.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.188 1.358 . . . . 0.0 114.486 -170.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.95 117.95 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.293 1.437 . . . . 0.0 111.014 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.83 175.03 9.12 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 126.869 2.067 . . . . 0.0 111.62 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -45.15 137.07 4.63 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -163.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.74 177.0 8.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.573 1.549 . . . . 0.0 114.746 -169.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.08 164.35 24.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -168.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.85 77.23 0.27 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.408 1.883 . . . . 0.0 113.453 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.85 125.02 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.401 1.08 . . . . 0.0 111.328 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.71 -49.42 68.89 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.574 -0.703 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -153.62 135.41 14.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.958 0.903 . . . . 0.0 111.934 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -99.36 130.85 45.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.77 0.828 . . . . 0.0 112.584 165.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -124.63 115.46 20.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 0.0 111.282 165.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.24 81.02 0.23 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.009 0.814 . . . . 0.0 114.521 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.26 136.15 53.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.556 1.142 . . . . 0.0 110.805 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 tp -146.02 146.76 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.274 1.03 . . . . 0.0 113.761 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pp -130.06 149.99 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 120.916 -1.115 . . . . 0.0 111.238 156.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.03 158.13 27.7 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -48.74 67.71 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.993 -0.71 . . . . 0.0 110.561 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 93.5 mtp -125.15 116.53 22.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.41 1.884 . . . . 0.0 110.183 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -127.66 113.97 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.972 1.309 . . . . 0.0 110.353 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.78 120.46 1.65 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.07 0.843 . . . . 0.0 114.462 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.97 81.28 0.66 Allowed Glycine 0 N--CA 1.475 1.276 0 O-C-N 121.812 -0.816 . . . . 0.0 112.827 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.83 129.41 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.765 1.226 . . . . 0.0 110.996 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.02 122.94 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.253 1.421 . . . . 0.0 110.733 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.1 mt -123.72 116.63 48.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.785 1.634 . . . . 0.0 108.756 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 C-N-CA 126.319 1.848 . . . . 0.0 112.306 -177.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.397 0.142 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 125.04 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.539 1.536 . . . . 0.0 110.0 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.71 113.93 19.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.613 1.565 . . . . 0.0 111.678 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.69 132.44 56.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.654 1.182 . . . . 0.0 112.98 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -122.4 98.82 6.1 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.044 1.737 . . . . 0.0 109.445 171.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -76.88 -65.09 0.99 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -164.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -133.96 128.02 33.58 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -167.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -128.26 116.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -71.93 175.1 6.14 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.473 2.309 . . . . 0.0 112.01 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -47.57 139.49 6.93 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -162.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.35 174.17 11.55 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.745 1.618 . . . . 0.0 115.331 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.2 167.53 17.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.437 1.895 . . . . 0.0 115.933 -168.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 57.27 73.79 0.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.344 1.858 . . . . 0.0 113.44 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -123.89 122.92 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.029 1.331 . . . . 0.0 110.96 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.09 -47.14 85.07 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.451 -0.78 . . . . 0.0 113.216 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -153.16 135.41 14.93 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.599 0.76 . . . . 0.0 112.266 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -99.37 133.34 43.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.488 1.115 . . . . 0.0 113.032 166.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.58 114.47 16.74 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.661 0.664 . . . . 0.0 112.216 164.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.98 95.43 0.06 OUTLIER Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.239 0.923 . . . . 0.0 114.023 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.24 136.44 48.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.877 1.271 . . . . 0.0 111.712 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -145.67 145.25 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.81 1.244 . . . . 0.0 113.127 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.1 146.43 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 119.096 0.862 . . . . 0.0 111.827 157.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.82 161.24 30.71 Favored Glycine 0 N--CA 1.469 0.882 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.53 -47.97 44.14 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 122.067 -0.667 . . . . 0.0 111.215 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ttt -123.97 115.64 21.56 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.603 1.961 . . . . 0.0 109.914 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.96 131.7 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.458 1.103 . . . . 0.0 111.188 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.3 164.15 37.67 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 117.29 1.676 . . . . 0.0 117.29 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.0 43.96 97.68 Favored Glycine 0 CA--C 1.536 1.367 0 O-C-N 122.112 -0.64 . . . . 0.0 112.798 -174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.02 122.68 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 110.326 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t -120.54 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.985 1.314 . . . . 0.0 110.545 -175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.32 109.7 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.053 1.341 . . . . 0.0 110.152 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 C-N-CA 126.134 1.774 . . . . 0.0 111.206 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.21 132.91 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.308 1.443 . . . . 0.0 110.986 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -124.49 128.59 49.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.18 1.392 . . . . 0.0 110.945 169.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -132.97 142.45 48.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.1 1.36 . . . . 0.0 113.532 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -135.41 121.34 19.86 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.412 1.885 . . . . 0.0 109.957 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -98.33 -62.91 1.18 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -168.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.09 137.03 54.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.475 1.51 . . . . 0.0 112.954 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.16 129.8 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.291 1.436 . . . . 0.0 111.457 167.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.89 175.14 9.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.271 1.829 . . . . 0.0 111.809 174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -44.0 136.78 3.58 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.33 172.77 12.35 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -165.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.19 168.51 19.92 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.049 2.14 . . . . 0.0 115.686 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 47.5 t0 57.83 77.62 0.27 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.397 2.279 . . . . 0.0 113.432 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.35 131.26 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.578 1.551 . . . . 0.0 111.855 -172.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -62.54 5.56 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.149 0.88 . . . . 0.0 112.568 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 135.34 27.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.743 0.817 . . . . 0.0 111.335 166.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -99.29 141.86 31.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.452 1.501 . . . . 0.0 112.706 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -144.75 135.49 24.69 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.18 91.3 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 167.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.8 33.02 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 118.341 1.07 . . . . 0.0 113.212 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tp -145.75 145.77 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 125.662 1.585 . . . . 0.0 115.077 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.11 142.69 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 125.394 1.477 . . . . 0.0 108.9 154.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.52 160.19 31.3 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 167.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.58 -39.09 46.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.162 0.985 . . . . 0.0 111.87 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ttt -132.44 125.44 30.74 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.702 2.001 . . . . 0.0 110.639 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.85 139.82 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.842 1.257 . . . . 0.0 112.089 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.85 145.42 10.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.132 0.872 . . . . 0.0 113.595 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.73 42.85 95.05 Favored Glycine 0 CA--C 1.538 1.483 0 O-C-N 121.391 -1.064 . . . . 0.0 113.724 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.58 129.68 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.826 1.25 . . . . 0.0 111.182 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.87 130.14 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.882 1.673 . . . . 0.0 111.034 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -127.22 131.14 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.137 1.375 . . . . 0.0 109.343 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.76 1.624 . . . . 0.0 113.084 -178.594 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.61 136.68 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -132.28 130.35 40.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.734 1.613 . . . . 0.0 110.626 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -143.59 145.55 32.59 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -165.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 47.67 72.85 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.228 2.611 . . . . 0.0 115.03 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -97.74 101.2 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.901 1.281 . . . . 0.0 110.222 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.35 141.75 51.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.573 1.149 . . . . 0.0 113.66 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -132.03 127.11 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.543 1.537 . . . . 0.0 111.481 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -74.33 171.9 12.85 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.28 1.032 . . . . 0.0 113.165 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -56.29 151.93 11.96 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.81 -179.47 7.4 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.374 1.47 . . . . 0.0 114.944 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.05 161.52 13.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.403 1.881 . . . . 0.0 115.859 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 t0 56.11 82.63 0.1 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.09 2.156 . . . . 0.0 114.835 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -117.88 134.4 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.568 1.147 . . . . 0.0 111.185 168.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.71 -50.84 39.51 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 121.615 -0.678 . . . . 0.0 112.306 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -149.56 135.26 18.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.798 0.839 . . . . 0.0 112.067 161.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -99.36 134.31 42.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.626 1.57 . . . . 0.0 112.858 169.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -126.36 114.44 18.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 109.707 158.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.68 92.37 0.08 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.826 1.203 . . . . 0.0 115.582 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 111.93 17.46 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 157.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -145.72 148.96 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -160.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.66 144.46 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.421 1.088 . . . . 0.0 111.105 161.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.15 154.95 11.73 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 121.365 -0.835 . . . . 0.0 114.577 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.3 -35.14 79.61 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.231 -1.158 . . . . 0.0 112.53 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 62.6 mtt 53.37 70.09 0.63 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.066 1.746 . . . . 0.0 113.411 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 m -113.86 147.4 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.411 1.484 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.31 -109.81 3.12 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.467 1.032 . . . . 0.0 112.565 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.35 122.4 5.23 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.168 1.366 . . . . 0.0 112.407 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.74 125.27 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.308 1.443 . . . . 0.0 111.388 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -123.75 127.23 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.497 1.519 . . . . 0.0 112.146 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.43 128.16 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.15 1.78 . . . . 0.0 109.02 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 125.388 1.475 . . . . 0.0 111.849 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -132.31 131.91 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.219 1.008 . . . . 0.0 112.372 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -123.1 120.01 32.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.567 1.547 . . . . 0.0 109.93 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.71 129.92 35.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -169.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 58.97 104.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.93 2.492 . . . . 0.0 116.731 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -117.23 113.7 22.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.884 1.674 . . . . 0.0 108.594 161.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -133.92 134.98 43.26 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.83 122.66 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.508 1.123 . . . . 0.0 111.423 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -69.66 174.88 4.6 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.282 1.033 . . . . 0.0 113.213 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -54.91 148.68 12.84 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -167.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.81 -179.81 7.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.691 1.596 . . . . 0.0 114.835 -172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.17 160.24 24.57 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 t0 58.46 82.73 0.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.667 1.987 . . . . 0.0 114.053 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.8 t -129.27 128.53 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.443 1.097 . . . . 0.0 111.726 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.07 -56.54 17.73 Favored Glycine 0 CA--C 1.535 1.315 0 O-C-N 121.264 -0.898 . . . . 0.0 112.476 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -148.23 135.67 20.55 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 165.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -99.25 129.41 45.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.119 0.967 . . . . 0.0 112.709 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -116.68 116.25 27.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 156.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.79 89.36 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.031 1.3 . . . . 0.0 114.986 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.37 112.2 20.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.598 0.759 . . . . 0.0 109.293 162.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -143.37 148.19 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -162.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -121.99 144.26 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.426 1.091 . . . . 0.0 111.095 161.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.4 162.3 27.85 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 115.348 0.899 . . . . 0.0 115.348 169.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -69.17 -39.83 78.51 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.485 -1.009 . . . . 0.0 111.121 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.5 mtt 58.18 73.97 0.45 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.684 1.594 . . . . 0.0 112.614 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 37.3 t -124.55 121.07 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.952 1.301 . . . . 0.0 111.787 -172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.83 -131.9 10.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.722 1.153 . . . . 0.0 112.059 -174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.52 115.6 5.25 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.793 1.187 . . . . 0.0 112.563 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.44 122.05 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.398 1.079 . . . . 0.0 111.246 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -123.73 120.44 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.639 1.576 . . . . 0.0 111.006 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.8 mt -122.34 110.81 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.558 1.543 . . . . 0.0 108.281 171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.393 1.477 . . . . 0.0 113.048 -170.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 66.1 t -124.1 121.61 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.187 1.395 . . . . 0.0 110.981 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -123.72 111.96 16.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.451 1.5 . . . . 0.0 110.701 -173.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -127.23 132.78 50.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -167.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 63.82 87.6 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.569 2.348 . . . . 0.0 116.288 162.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -101.88 115.74 31.19 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.715 1.206 . . . . 0.0 109.486 163.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -133.86 134.7 43.07 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.9 120.52 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.428 1.091 . . . . 0.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -70.85 174.81 5.62 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.314 1.045 . . . . 0.0 113.25 173.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -53.57 147.42 11.16 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -164.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.09 -179.39 6.66 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.916 1.687 . . . . 0.0 114.827 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.82 162.83 20.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.193 1.797 . . . . 0.0 115.837 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 54.9 t0 56.95 77.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.362 1.865 . . . . 0.0 113.656 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.48 130.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.278 1.031 . . . . 0.0 111.687 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.1 -63.85 3.89 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.953 0.787 . . . . 0.0 112.432 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 57.0 m -140.94 135.44 31.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.849 0.824 . . . . 0.0 113.126 168.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -99.21 131.19 45.41 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.379 1.072 . . . . 0.0 112.757 164.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -119.84 114.55 22.27 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.738 0.815 . . . . 0.0 110.039 159.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.11 93.12 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.096 1.331 . . . . 0.0 115.068 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.67 112.12 18.03 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.681 0.792 . . . . 0.0 110.134 164.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -143.16 148.25 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -161.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.87 144.17 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.774 1.23 . . . . 0.0 111.041 161.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.7 166.94 33.38 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 116.11 1.204 . . . . 0.0 116.11 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.39 -39.25 68.13 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.5 -1.0 . . . . 0.0 111.058 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtt 56.9 72.76 0.49 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.754 1.622 . . . . 0.0 112.855 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -118.44 127.37 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.5 1.52 . . . . 0.0 111.604 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.92 -112.01 3.93 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 124.465 1.031 . . . . 0.0 113.206 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.45 102.68 0.8 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.875 1.702 . . . . 0.0 112.299 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -120.07 122.26 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.565 1.146 . . . . 0.0 111.634 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 78.2 t -123.68 119.5 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.696 1.998 . . . . 0.0 110.341 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.31 124.32 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.859 1.263 . . . . 0.0 109.63 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.69 1.596 . . . . 0.0 113.574 -174.338 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.2 t -130.16 123.76 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.703 1.201 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -112.02 136.3 51.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.575 1.55 . . . . 0.0 112.87 171.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -130.78 133.35 45.91 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.309 1.444 . . . . 0.0 113.131 169.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 59.68 109.12 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.014 2.926 . . . . 0.0 117.922 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -112.83 115.53 28.62 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.123 1.369 . . . . 0.0 107.544 154.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -133.26 129.46 37.66 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -170.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 t -131.44 121.34 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.937 0.895 . . . . 0.0 111.369 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -70.89 174.78 5.7 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.648 1.179 . . . . 0.0 112.402 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -54.41 148.23 12.28 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -164.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.83 -179.66 6.7 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.968 1.707 . . . . 0.0 114.788 -173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.77 164.54 23.34 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 43.5 t0 58.93 75.73 0.38 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.43 1.892 . . . . 0.0 113.168 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.21 126.11 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.209 1.004 . . . . 0.0 111.751 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.51 -53.25 33.16 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.631 0.634 . . . . 0.0 112.841 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -150.99 135.43 17.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 166.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.3 130.07 45.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.581 1.152 . . . . 0.0 112.579 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -119.04 114.49 22.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.798 0.839 . . . . 0.0 110.285 160.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.99 92.04 0.07 OUTLIER Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.931 1.253 . . . . 0.0 114.549 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.06 112.3 18.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.522 0.729 . . . . 0.0 109.764 164.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 mm -143.66 146.84 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -161.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.451 HG22 HG12 ' E' ' 32' ' ' ILE . 3.3 pt -118.23 144.42 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.659 0.784 . . . . 0.0 110.78 157.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.83 162.83 26.31 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 116.094 1.198 . . . . 0.0 116.094 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.641 -0.917 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.9 mtt 56.81 79.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.127 1.771 . . . . 0.0 112.903 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 27.0 t -122.92 119.49 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.073 1.349 . . . . 0.0 111.431 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.41 -134.53 12.02 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.547 1.07 . . . . 0.0 112.475 -174.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.16 114.36 4.9 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.813 1.197 . . . . 0.0 112.43 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -130.59 120.1 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.376 1.07 . . . . 0.0 110.854 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -123.79 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.368 1.067 . . . . 0.0 113.395 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.75 123.19 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.96 1.704 . . . . 0.0 109.032 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 C-N-CA 125.772 1.629 . . . . 0.0 113.65 -172.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -128.54 129.04 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.956 1.303 . . . . 0.0 111.304 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -122.68 123.78 41.92 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.413 1.485 . . . . 0.0 111.351 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -127.35 126.4 42.46 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 59.95 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.473 2.709 . . . . 0.0 117.014 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -112.62 112.39 23.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.556 1.542 . . . . 0.0 107.902 161.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -133.39 130.77 39.19 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 t -132.69 125.71 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.352 1.061 . . . . 0.0 112.02 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.39 174.81 8.37 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.785 1.234 . . . . 0.0 112.104 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -54.24 147.58 12.96 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -166.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.33 178.26 8.22 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.671 1.588 . . . . 0.0 114.695 -172.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.21 162.46 24.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -167.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 t0 58.69 84.89 0.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.709 2.003 . . . . 0.0 113.435 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.11 127.53 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.806 0.842 . . . . 0.0 111.802 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.12 -55.07 28.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.562 0.601 . . . . 0.0 112.044 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 64.3 p -150.64 135.46 17.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -99.25 132.69 44.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 112.189 165.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.68 114.32 19.17 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.43 1.092 . . . . 0.0 109.908 166.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.86 88.28 0.06 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.834 1.207 . . . . 0.0 115.015 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.25 112.47 21.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.858 0.863 . . . . 0.0 108.784 163.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -145.75 146.6 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -162.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.451 HG12 HG22 ' D' ' 32' ' ' ILE . 2.1 pt -120.66 142.88 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.607 0.763 . . . . 0.0 111.122 160.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.34 164.42 29.89 Favored Glycine 0 N--CA 1.473 1.104 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.76 -42.23 70.71 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.547 -0.972 . . . . 0.0 111.253 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.2 mtt 57.89 81.17 0.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.16 1.784 . . . . 0.0 113.154 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.0 125.15 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.429 1.492 . . . . 0.0 111.478 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.09 3.75 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.458 1.028 . . . . 0.0 112.378 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.15 105.68 0.81 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.319 1.438 . . . . 0.0 112.573 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.25 119.58 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.765 1.226 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.78 122.7 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.807 1.243 . . . . 0.0 111.248 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -123.61 124.61 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.157 1.383 . . . . 0.0 109.665 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.837 1.655 . . . . 0.0 113.013 -176.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.55 129.45 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.673 1.189 . . . . 0.0 112.274 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.64 136.16 54.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.11 1.364 . . . . 0.0 111.659 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -133.8 126.49 30.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.693 1.197 . . . . 0.0 112.663 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 67.96 109.54 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.615 2.766 . . . . 0.0 117.952 168.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -119.19 115.33 24.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.313 2.245 . . . . 0.0 108.302 162.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.94 129.24 36.0 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 t -133.45 119.55 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.011 0.924 . . . . 0.0 111.665 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -68.66 172.86 5.72 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.762 0.825 . . . . 0.0 112.738 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -52.72 149.14 6.42 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -165.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.59 179.8 6.89 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.836 1.654 . . . . 0.0 114.747 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.12 163.6 24.45 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t0 58.16 80.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.699 1.999 . . . . 0.0 113.476 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.91 127.52 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.197 0.999 . . . . 0.0 111.921 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.13 -54.52 26.9 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.551 0.596 . . . . 0.0 112.449 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 t -148.86 135.31 19.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.547 0.739 . . . . 0.0 112.669 166.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -99.32 130.73 45.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.892 0.877 . . . . 0.0 112.443 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -120.01 114.43 22.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.861 0.864 . . . . 0.0 110.599 162.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.84 90.34 0.08 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.258 1.409 . . . . 0.0 114.899 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.16 112.18 19.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.964 0.906 . . . . 0.0 109.924 164.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -143.91 147.13 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -162.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.6 141.52 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.444 1.097 . . . . 0.0 110.696 160.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.61 168.17 35.64 Favored Glycine 0 N--CA 1.472 1.092 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.95 -43.04 65.86 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.764 -0.845 . . . . 0.0 110.939 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 60.8 mtt 57.74 79.22 0.21 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.781 1.632 . . . . 0.0 112.954 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.01 122.14 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 125.324 1.449 . . . . 0.0 111.51 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 -122.76 7.69 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.576 1.084 . . . . 0.0 111.992 -174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.68 119.72 6.04 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.153 1.359 . . . . 0.0 112.935 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.6 118.47 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.706 1.202 . . . . 0.0 110.392 173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.71 126.23 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.908 1.283 . . . . 0.0 110.975 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mt -126.23 127.95 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.38 1.472 . . . . 0.0 109.835 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 C-N-CA 126.111 1.764 . . . . 0.0 112.106 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.05 129.53 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.236 1.414 . . . . 0.0 110.742 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.65 124.86 30.77 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.872 1.669 . . . . 0.0 111.084 -176.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -125.62 137.51 53.89 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.859 1.264 . . . . 0.0 113.693 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 60.47 98.73 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.158 2.583 . . . . 0.0 117.756 165.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -104.09 120.45 41.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 153.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -134.03 126.66 30.66 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -131.4 118.35 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.146 0.978 . . . . 0.0 111.286 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -69.55 174.05 5.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.146 0.978 . . . . 0.0 112.573 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -53.69 148.44 9.82 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -164.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.21 178.57 7.5 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.727 1.611 . . . . 0.0 114.759 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.69 163.79 26.38 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 59.51 80.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.905 2.082 . . . . 0.0 113.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.16 125.75 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.118 0.967 . . . . 0.0 112.112 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -51.63 48.31 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.763 -0.586 . . . . 0.0 112.906 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 26.9 t -150.54 135.48 17.59 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 167.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -99.36 132.55 44.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 163.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -122.56 114.56 20.82 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.767 0.827 . . . . 0.0 110.72 161.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.6 91.57 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.391 1.472 . . . . 0.0 114.744 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.03 112.18 17.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.638 0.775 . . . . 0.0 110.535 165.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mm -144.13 148.62 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -161.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.503 HG22 HG12 ' H' ' 32' ' ' ILE . 2.8 pt -120.62 142.97 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.069 0.948 . . . . 0.0 111.22 157.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.13 169.52 36.38 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 117.465 1.746 . . . . 0.0 117.465 169.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.69 -39.97 63.98 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.6 -0.941 . . . . 0.0 111.506 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 61.4 mtt 56.57 74.69 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.085 1.754 . . . . 0.0 113.41 173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.9 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.261 1.425 . . . . 0.0 111.181 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.55 -124.36 8.08 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.641 1.115 . . . . 0.0 112.406 -173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.28 116.05 4.11 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.227 1.394 . . . . 0.0 112.95 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.49 116.37 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.849 1.259 . . . . 0.0 110.305 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 123.96 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.851 1.26 . . . . 0.0 111.271 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 69.2 mt -121.03 123.33 69.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.618 1.567 . . . . 0.0 109.138 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 C-N-CA 125.819 1.647 . . . . 0.0 112.212 178.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.11 130.77 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.416 1.086 . . . . 0.0 112.461 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.29 119.55 23.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.01 1.724 . . . . 0.0 111.808 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -125.34 134.97 52.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.198 1.399 . . . . 0.0 113.554 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 60.43 102.88 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.207 2.603 . . . . 0.0 116.494 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -121.71 112.5 18.48 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.609 1.563 . . . . 0.0 109.289 166.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 tt -133.05 131.16 40.3 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.88 124.09 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.319 1.048 . . . . 0.0 111.448 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.93 173.98 9.19 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.08 0.952 . . . . 0.0 112.602 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -53.27 147.97 9.37 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -166.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.13 177.02 9.14 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.256 1.422 . . . . 0.0 114.766 -172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.32 164.55 20.53 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -166.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 42.8 t0 59.17 80.5 0.19 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.978 2.111 . . . . 0.0 113.437 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.24 126.56 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.27 1.028 . . . . 0.0 112.114 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.44 -52.49 43.05 Favored Glycine 0 CA--C 1.534 1.26 0 O-C-N 121.323 -0.861 . . . . 0.0 112.724 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.42 135.38 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 166.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -99.38 135.37 40.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 113.143 165.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -128.65 114.41 16.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.354 1.062 . . . . 0.0 111.085 167.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.05 88.26 0.07 OUTLIER Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.042 1.306 . . . . 0.0 115.025 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.06 112.41 18.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.089 0.955 . . . . 0.0 109.955 166.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -145.5 145.97 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.503 HG12 HG22 ' G' ' 32' ' ' ILE . 3.9 pt -120.19 145.52 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.095 0.558 . . . . 0.0 110.872 158.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.67 168.63 35.65 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 170.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.25 -48.43 51.14 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.936 -0.744 . . . . 0.0 110.717 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 48.1 mtt 58.75 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.047 2.139 . . . . 0.0 113.558 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.9 t -133.13 112.34 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.378 1.471 . . . . 0.0 110.451 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.38 -116.63 3.86 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.332 0.968 . . . . 0.0 112.497 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.2 119.72 4.09 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.16 1.362 . . . . 0.0 113.354 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.51 117.91 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.478 1.511 . . . . 0.0 110.195 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -123.78 128.15 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.962 1.305 . . . . 0.0 111.909 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.99 109.6 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.784 1.634 . . . . 0.0 109.113 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 C-N-CA 125.796 1.639 . . . . 0.0 111.182 -174.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 64.1 t -125.75 124.76 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.813 1.245 . . . . 0.0 110.511 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -117.73 130.29 56.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.791 1.637 . . . . 0.0 111.231 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -140.84 127.1 19.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.962 0.905 . . . . 0.0 113.166 -175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 59.28 101.63 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.267 2.627 . . . . 0.0 116.531 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -123.16 110.03 14.76 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.675 1.99 . . . . 0.0 109.2 169.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.96 134.58 42.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -167.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.53 120.7 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.294 1.038 . . . . 0.0 111.806 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.57 174.69 3.97 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.114 0.966 . . . . 0.0 113.093 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -52.3 149.28 5.65 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -166.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.63 178.83 8.09 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -170.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.92 166.3 21.49 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -166.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 58.47 78.8 0.23 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.898 2.079 . . . . 0.0 113.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.6 129.9 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.496 1.118 . . . . 0.0 112.186 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -64.77 3.48 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 121.459 -0.776 . . . . 0.0 112.799 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -139.31 135.37 33.72 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 117.896 0.848 . . . . 0.0 113.176 169.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.6 131.78 45.36 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 164.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -115.96 123.58 48.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.75 0.82 . . . . 0.0 110.898 155.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.59 90.54 0.06 OUTLIER Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.959 1.266 . . . . 0.0 115.809 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 112.2 18.54 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.716 0.806 . . . . 0.0 110.41 165.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 mm -142.77 145.49 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -161.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.96 146.62 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.632 1.173 . . . . 0.0 111.187 161.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.0 179.13 41.43 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 117.04 1.576 . . . . 0.0 117.04 170.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.97 -40.07 63.25 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.983 -0.716 . . . . 0.0 110.329 168.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 85.6 mtp 58.33 68.53 0.82 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.17 126.55 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.033 1.733 . . . . 0.0 111.851 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.33 -129.9 10.07 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.387 0.994 . . . . 0.0 112.271 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 121.3 7.13 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.068 1.318 . . . . 0.0 113.325 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.9 114.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.257 1.423 . . . . 0.0 109.501 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -123.8 122.71 65.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.765 1.226 . . . . 0.0 111.622 -172.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.1 121.63 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.686 1.594 . . . . 0.0 108.797 171.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.205 1.402 . . . . 0.0 111.348 -177.627 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.691 -0.114 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 50.9 t -130.06 130.55 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.72 1.208 . . . . 0.0 110.97 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -125.98 119.94 29.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.731 1.613 . . . . 0.0 110.211 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -135.32 126.68 28.44 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -168.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.05 91.94 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.976 2.51 . . . . 0.0 116.326 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -107.87 108.82 20.16 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.892 1.677 . . . . 0.0 108.966 163.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -132.16 129.17 39.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 122.48 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.456 1.103 . . . . 0.0 111.467 -177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.01 174.41 6.27 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.047 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.73 149.44 26.26 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -165.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.61 -178.88 7.17 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -162.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.72 167.94 20.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.715 2.406 . . . . 0.0 116.583 -165.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t0 60.88 80.51 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.428 2.291 . . . . 0.0 113.002 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.52 135.08 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -169.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.26 -57.55 7.44 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.397 -0.814 . . . . 0.0 113.607 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -149.37 135.41 18.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.543 1.172 . . . . 0.0 114.08 172.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -99.42 137.03 38.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.192 1.397 . . . . 0.0 114.008 166.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -129.07 114.61 16.59 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.645 0.778 . . . . 0.0 111.27 159.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.46 90.99 0.13 Allowed Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.068 1.318 . . . . 0.0 115.051 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.09 112.36 19.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.052 0.941 . . . . 0.0 109.399 164.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mm -142.6 146.51 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -162.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.638 HG22 HG12 ' K' ' 32' ' ' ILE . 3.6 pt -124.29 150.12 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.642 0.777 . . . . 0.0 112.173 158.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.22 179.93 39.37 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 116.881 1.513 . . . . 0.0 116.881 168.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.7 -42.77 60.8 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.844 -0.798 . . . . 0.0 110.746 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 75.3 mtp 58.76 76.13 0.36 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.239 1.816 . . . . 0.0 112.807 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -118.99 117.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.698 1.599 . . . . 0.0 111.359 -170.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.81 -131.98 10.91 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.461 1.029 . . . . 0.0 111.996 -172.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.23 110.93 3.47 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.24 1.4 . . . . 0.0 113.374 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.75 114.96 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.847 1.259 . . . . 0.0 109.762 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.75 126.9 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.85 1.26 . . . . 0.0 111.675 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mt -124.68 124.71 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.646 1.578 . . . . 0.0 109.445 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 C-N-CA 126.652 1.981 . . . . 0.0 111.05 176.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -130.4 127.03 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.674 1.189 . . . . 0.0 111.348 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -127.05 111.91 14.6 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.109 1.364 . . . . 0.0 110.53 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -128.0 128.88 45.8 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 57.21 87.56 0.06 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 128.718 2.807 . . . . 0.0 116.101 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -100.91 109.16 21.08 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.232 1.413 . . . . 0.0 108.091 163.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.06 131.62 39.03 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -167.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -131.89 127.94 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.121 0.969 . . . . 0.0 112.527 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.99 174.86 9.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.61 1.164 . . . . 0.0 113.37 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' L' ' 20' ' ' PHE . 10.5 t80 -48.97 137.15 13.28 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.228 1.811 . . . . 0.0 113.478 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.59 179.43 6.56 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.28 167.15 22.19 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -164.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 58.34 82.25 0.14 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.257 2.223 . . . . 0.0 113.211 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 t -133.53 132.51 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.27 1.028 . . . . 0.0 112.225 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -62.13 5.7 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.092 -1.005 . . . . 0.0 112.255 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 68.0 m -143.05 135.61 27.54 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -99.46 131.51 45.42 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.641 1.177 . . . . 0.0 113.04 166.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -126.72 114.6 18.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.129 0.972 . . . . 0.0 111.318 166.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.93 90.59 0.08 OUTLIER Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.095 1.331 . . . . 0.0 115.305 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 115.65 24.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.731 1.212 . . . . 0.0 108.808 165.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -145.62 142.17 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -164.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.638 HG12 HG22 ' J' ' 32' ' ' ILE . 8.4 pt -122.25 148.48 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 121.58 -0.7 . . . . 0.0 110.763 158.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 179.57 37.77 Favored Glycine 0 N--CA 1.472 1.098 0 O-C-N 120.643 -1.286 . . . . 0.0 115.619 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.87 -48.8 23.0 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.612 -0.934 . . . . 0.0 110.705 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 56.0 mtm 57.61 101.81 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.024 2.13 . . . . 0.0 114.321 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -134.38 122.76 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.077 1.351 . . . . 0.0 111.242 -175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.28 -95.23 0.92 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.879 1.228 . . . . 0.0 112.97 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.71 115.45 1.04 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.384 1.468 . . . . 0.0 113.364 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -120.76 116.85 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 0.0 109.905 173.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.82 125.76 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.093 1.357 . . . . 0.0 111.798 -174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.13 115.7 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.272 1.429 . . . . 0.0 108.778 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.795 0 C-N-CA 125.468 1.507 . . . . 0.0 112.747 -172.003 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.26 132.29 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.658 1.183 . . . . 0.0 111.088 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -130.97 133.41 45.77 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.666 1.586 . . . . 0.0 111.149 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -143.57 134.14 24.93 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 47.24 105.12 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.945 2.898 . . . . 0.0 117.371 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -116.61 82.42 1.79 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.454 1.502 . . . . 0.0 107.461 162.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.4 140.29 48.8 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.631 1.572 . . . . 0.0 113.638 -160.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.55 141.38 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.153 0.981 . . . . 0.0 113.185 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.69 174.9 10.94 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.186 0.594 . . . . 0.0 110.9 161.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' K' ' 20' ' ' PHE . 42.3 t80 -56.21 155.34 6.81 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -165.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.88 173.41 9.96 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 127.373 2.269 . . . . 0.0 116.275 -174.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.9 168.89 16.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.467 2.307 . . . . 0.0 116.173 -168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 60.64 80.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.084 2.554 . . . . 0.0 113.997 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.03 134.96 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.291 1.437 . . . . 0.0 113.102 -171.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.16 -52.49 36.16 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.288 -0.883 . . . . 0.0 113.891 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -154.55 135.47 13.75 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.58 -0.953 . . . . 0.0 112.032 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -99.13 140.58 33.08 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.659 1.184 . . . . 0.0 113.481 169.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -135.52 114.57 12.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.435 1.094 . . . . 0.0 111.051 167.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.32 89.1 0.11 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.274 1.416 . . . . 0.0 116.084 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 112.2 20.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.137 0.975 . . . . 0.0 109.545 164.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 mm -143.56 144.45 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -160.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.454 HG12 HG22 ' K' ' 32' ' ' ILE . 5.7 pt -129.46 147.16 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.364 . . . . 0.0 110.322 159.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.93 176.44 32.01 Favored Glycine 0 N--CA 1.472 1.085 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -77.23 -37.63 52.92 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.207 0.603 . . . . 0.0 111.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 73.8 mtm 53.08 61.04 3.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.147 1.779 . . . . 0.0 113.926 169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.59 131.47 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.554 1.542 . . . . 0.0 110.943 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -143.2 21.81 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 123.88 0.752 . . . . 0.0 113.037 -173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.22 123.41 6.31 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.279 0.942 . . . . 0.0 113.607 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -129.14 111.59 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.614 1.166 . . . . 0.0 108.932 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.77 126.61 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.725 1.61 . . . . 0.0 111.553 -168.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -122.65 109.61 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.614 1.166 . . . . 0.0 108.165 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 C-N-CA 125.706 1.602 . . . . 0.0 111.185 -169.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.53 137.43 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.632 1.173 . . . . 0.0 112.299 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -137.94 142.14 40.55 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.516 1.127 . . . . 0.0 113.21 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -138.89 137.21 36.3 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.635 1.574 . . . . 0.0 113.433 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 53.06 73.26 0.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.276 2.23 . . . . 0.0 114.527 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -97.67 93.04 6.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.779 1.232 . . . . 0.0 111.122 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -99.51 121.23 40.86 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.11 1.364 . . . . 0.0 110.002 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.53 119.09 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.769 1.228 . . . . 0.0 111.962 -168.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -73.93 174.84 7.98 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.252 1.021 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -55.89 147.91 18.28 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.11 -177.22 6.35 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.41 167.65 16.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.997 2.119 . . . . 0.0 115.681 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 56.32 48.84 16.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.917 1.687 . . . . 0.0 114.067 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.18 123.04 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.631 1.172 . . . . 0.0 110.253 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.92 -46.84 79.41 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.375 0.988 . . . . 0.0 113.447 -176.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -153.45 135.49 14.73 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.672 167.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -99.09 137.37 37.72 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.023 1.329 . . . . 0.0 112.645 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -140.4 114.51 9.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.221 1.008 . . . . 0.0 111.633 167.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.12 84.65 0.11 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.849 1.214 . . . . 0.0 113.747 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.17 112.43 15.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.618 1.167 . . . . 0.0 111.027 168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mm -138.99 132.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.52 1.128 . . . . 0.0 113.649 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.4 mt -106.08 119.36 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.8 1.24 . . . . 0.0 108.254 164.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.79 141.56 4.99 Favored Glycine 0 N--CA 1.476 1.327 0 O-C-N 121.495 -0.753 . . . . 0.0 114.358 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.51 -34.95 77.9 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -166.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -139.01 134.83 33.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.171 0.988 . . . . 0.0 112.279 -172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.72 131.98 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.813 1.645 . . . . 0.0 111.01 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -135.34 1.28 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.029 1.3 . . . . 0.0 114.451 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 133.84 12.06 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.44 1.019 . . . . 0.0 112.508 170.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.05 134.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.076 1.35 . . . . 0.0 112.261 -174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.78 132.95 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 169.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -127.27 131.85 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.008 1.723 . . . . 0.0 109.506 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.045 1.738 . . . . 0.0 112.833 -178.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 128.01 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.608 1.163 . . . . 0.0 110.807 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -127.79 121.11 29.37 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.934 0.894 . . . . 0.0 111.718 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -123.69 125.4 44.71 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.752 1.221 . . . . 0.0 112.331 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 57.55 94.54 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.99 2.116 . . . . 0.0 114.311 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -121.61 104.22 9.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.886 1.675 . . . . 0.0 110.686 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -107.66 120.86 43.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.471 1.508 . . . . 0.0 109.519 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -132.66 111.85 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.199 0.999 . . . . 0.0 111.067 -170.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.45 174.97 3.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -55.13 145.04 22.08 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -168.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.93 -177.75 5.71 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.919 1.288 . . . . 0.0 114.453 -169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.74 163.84 23.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -170.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.2 t0 57.2 79.5 0.19 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.194 1.798 . . . . 0.0 113.701 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.49 132.52 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.343 1.057 . . . . 0.0 111.555 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.7 -61.58 5.2 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 123.897 0.76 . . . . 0.0 113.173 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.97 135.57 18.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -99.08 132.41 44.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.98 1.312 . . . . 0.0 113.336 169.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -126.07 114.46 18.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.768 1.627 . . . . 0.0 110.503 160.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.89 89.55 0.1 OUTLIER Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.619 1.104 . . . . 0.0 114.296 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.27 113.19 15.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.411 1.884 . . . . 0.0 110.323 171.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mm -135.79 135.19 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.584 -1.322 . . . . 0.0 113.394 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.02 114.71 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 164.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.16 134.06 2.62 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.49 -40.57 97.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -167.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 95.4 mtp -129.45 127.65 41.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.139 0.976 . . . . 0.0 112.121 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.89 116.14 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.347 1.459 . . . . 0.0 111.206 -174.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.77 -47.5 55.21 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.132 0.872 . . . . 0.0 114.053 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.82 138.96 3.54 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.949 -0.736 . . . . 0.0 114.406 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -125.93 127.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.783 1.233 . . . . 0.0 111.569 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 t -120.36 124.66 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.564 1.546 . . . . 0.0 110.584 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.41 130.05 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.86 1.264 . . . . 0.0 110.427 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 C-N-CA 126.007 1.723 . . . . 0.0 112.661 173.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.84 133.81 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.37 1.068 . . . . 0.0 112.156 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -130.8 128.98 41.8 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.65 1.18 . . . . 0.0 111.204 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -135.96 129.4 32.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.283 1.033 . . . . 0.0 113.526 -171.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 55.6 80.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.071 2.149 . . . . 0.0 114.414 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.09 111.12 23.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.437 1.095 . . . . 0.0 110.136 167.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -109.39 113.77 26.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.82 1.248 . . . . 0.0 109.007 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 t -128.74 113.34 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.327 1.051 . . . . 0.0 111.527 -166.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.96 174.91 6.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.794 1.237 . . . . 0.0 112.887 172.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -55.98 145.58 24.88 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -168.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.31 -176.87 5.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.109 1.364 . . . . 0.0 114.507 -171.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.51 164.18 23.73 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -168.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 57.24 76.22 0.33 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.389 1.876 . . . . 0.0 113.358 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.97 128.89 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.364 1.065 . . . . 0.0 111.633 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.91 -61.89 4.91 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 121.682 -0.636 . . . . 0.0 112.568 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.4 p -148.25 135.56 20.44 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -99.07 128.98 45.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.429 1.092 . . . . 0.0 112.846 167.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -119.63 114.44 22.22 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 109.528 158.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.83 90.89 0.06 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.433 1.015 . . . . 0.0 114.59 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.65 121.14 31.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.97 1.708 . . . . 0.0 109.755 168.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mm -141.18 135.11 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.945 1.248 . . . . 0.0 113.717 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 86.9 mt -109.17 115.93 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.865 1.266 . . . . 0.0 108.524 163.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.85 132.83 2.59 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.84 -43.03 98.83 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.856 1.262 . . . . 0.0 113.942 -170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 98.3 mtp -127.11 126.26 42.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.576 1.15 . . . . 0.0 111.967 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.45 113.66 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.838 1.655 . . . . 0.0 110.65 -176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.67 92.94 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.689 -0.632 . . . . 0.0 113.733 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.9 157.04 18.68 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.976 0.798 . . . . 0.0 115.094 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 t -132.18 129.23 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.493 1.117 . . . . 0.0 111.237 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.84 124.67 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.009 1.323 . . . . 0.0 110.37 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.54 119.54 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.34 1.056 . . . . 0.0 110.362 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 112.73 174.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -133.35 128.76 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.601 1.16 . . . . 0.0 111.117 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -127.6 120.09 27.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.26 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -121.29 130.08 53.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.276 1.431 . . . . 0.0 113.29 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 57.73 89.23 0.05 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.604 2.361 . . . . 0.0 114.805 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -117.2 102.76 9.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.176 1.79 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.26 119.35 39.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.848 1.659 . . . . 0.0 109.821 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.73 114.28 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.383 1.073 . . . . 0.0 111.979 -166.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.19 174.91 5.77 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.016 1.326 . . . . 0.0 112.844 170.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -55.05 144.78 22.48 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -168.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.69 -178.45 5.36 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 114.293 -172.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.26 163.67 22.35 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 47.2 t0 60.26 75.86 0.39 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.11 1.764 . . . . 0.0 113.04 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -126.82 124.46 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.41 1.084 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.96 -54.02 27.11 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.804 -0.56 . . . . 0.0 112.949 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -152.92 135.61 15.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.695 0.798 . . . . 0.0 113.056 170.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.16 130.91 45.5 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.372 1.069 . . . . 0.0 112.265 165.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -125.82 114.21 18.28 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.018 0.927 . . . . 0.0 109.709 162.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.92 92.66 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 125.067 1.318 . . . . 0.0 115.591 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.68 124.57 31.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.597 1.559 . . . . 0.0 111.3 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mm -141.99 131.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.08 1.309 . . . . 0.0 114.421 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -103.32 119.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.177 . . . . 0.0 108.436 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.6 131.49 2.19 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 115.486 0.954 . . . . 0.0 115.486 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.46 -40.26 90.55 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.244 1.018 . . . . 0.0 113.326 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttm -128.64 121.99 29.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.716 1.207 . . . . 0.0 111.784 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 t -130.56 112.44 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.5 1.52 . . . . 0.0 111.112 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.91 -43.87 90.33 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 121.412 -0.805 . . . . 0.0 114.197 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.18 156.7 21.87 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 121.527 -0.984 . . . . 0.0 114.801 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.83 126.64 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -123.78 116.28 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.886 1.274 . . . . 0.0 110.764 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -121.71 113.18 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.688 1.195 . . . . 0.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.301 1.04 . . . . 0.0 112.235 173.037 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -132.07 131.69 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 124.766 1.226 . . . . 0.0 112.155 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -127.43 124.92 39.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.434 1.494 . . . . 0.0 111.586 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -134.55 123.98 24.75 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.27 1.028 . . . . 0.0 113.377 -171.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 56.05 92.97 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.18 2.592 . . . . 0.0 116.001 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -107.91 112.62 25.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.629 1.171 . . . . 0.0 110.418 165.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.39 114.58 28.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.257 1.423 . . . . 0.0 109.448 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.65 110.92 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.031 0.932 . . . . 0.0 112.178 -167.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 174.93 2.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.191 1.396 . . . . 0.0 112.634 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -54.71 145.61 18.9 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -168.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.63 -178.73 7.08 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.075 1.35 . . . . 0.0 114.367 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.79 161.07 24.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -167.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 57.86 84.79 0.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.895 2.078 . . . . 0.0 113.392 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -127.06 122.92 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.037 0.935 . . . . 0.0 111.257 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.26 -50.66 55.31 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.474 0.559 . . . . 0.0 112.634 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -154.78 135.54 13.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.485 167.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -99.23 131.05 45.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.204 1.002 . . . . 0.0 112.249 165.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -125.84 114.31 18.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.058 0.943 . . . . 0.0 110.499 163.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.65 93.77 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.876 1.226 . . . . 0.0 115.06 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.04 120.51 23.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.999 1.32 . . . . 0.0 110.978 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mm -134.49 135.77 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.264 1.393 . . . . 0.0 114.4 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.24 116.88 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.106 1.362 . . . . 0.0 108.983 164.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.9 133.99 2.89 Favored Glycine 0 N--CA 1.471 0.995 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -62.31 -43.49 98.7 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.208 1.003 . . . . 0.0 113.405 -171.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtt -120.68 125.11 46.85 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.389 1.475 . . . . 0.0 111.165 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.0 t -133.1 126.04 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.682 1.193 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.11 -118.25 0.17 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.177 0.894 . . . . 0.0 114.027 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.83 130.89 10.53 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.239 0.923 . . . . 0.0 113.494 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.75 126.87 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.462 1.105 . . . . 0.0 112.483 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.8 122.15 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.252 1.821 . . . . 0.0 110.663 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.96 115.25 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.557 1.143 . . . . 0.0 109.524 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 124.573 1.149 . . . . 0.0 112.704 174.594 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.22 130.05 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.279 1.431 . . . . 0.0 110.813 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -127.4 135.07 49.95 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.418 1.487 . . . . 0.0 113.189 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -130.32 127.15 38.86 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.912 1.685 . . . . 0.0 111.895 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 58.13 109.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.179 2.592 . . . . 0.0 116.835 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -130.5 114.34 15.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.068 1.347 . . . . 0.0 110.314 166.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -111.59 120.19 41.26 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.739 1.615 . . . . 0.0 110.085 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.38 112.39 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.651 1.18 . . . . 0.0 111.427 -173.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.74 175.17 6.69 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.781 1.632 . . . . 0.0 112.591 172.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -44.35 133.41 5.54 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.94 -179.24 6.88 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.514 1.126 . . . . 0.0 113.899 -171.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 160.72 26.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -165.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t0 59.08 83.84 0.12 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.124 2.17 . . . . 0.0 113.35 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -126.58 122.98 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.849 1.26 . . . . 0.0 111.519 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.44 -50.65 48.37 Favored Glycine 0 CA--C 1.537 1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 113.132 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -153.45 135.5 14.74 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.922 0.889 . . . . 0.0 112.626 168.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -99.36 130.78 45.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.604 1.162 . . . . 0.0 113.491 164.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.68 114.55 21.3 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.292 1.037 . . . . 0.0 110.843 159.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.48 86.42 0.07 OUTLIER Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.0 1.286 . . . . 0.0 115.006 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.98 53.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.258 1.423 . . . . 0.0 110.841 171.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mm -139.83 142.17 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 120.147 1.34 . . . . 0.0 113.74 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -119.78 119.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.439 1.496 . . . . 0.0 108.882 163.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.53 133.83 2.71 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 115.712 1.045 . . . . 0.0 115.712 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.92 -42.54 99.83 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.012 0.925 . . . . 0.0 113.029 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 93.8 mtp -126.29 118.62 25.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.669 1.588 . . . . 0.0 111.06 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.16 122.76 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 111.349 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.99 5.91 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.618 1.104 . . . . 0.0 113.724 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.53 140.43 6.32 Favored Glycine 0 N--CA 1.473 1.102 0 CA-C-N 117.945 0.872 . . . . 0.0 114.497 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 t -130.38 129.9 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.44 1.096 . . . . 0.0 111.907 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.82 129.49 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.211 1.004 . . . . 0.0 113.007 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.8 109.52 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 125.237 1.415 . . . . 0.0 109.236 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.62 1.168 . . . . 0.0 112.993 179.438 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 110.668 -0.123 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.62 126.43 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.094 1.358 . . . . 0.0 110.323 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -128.27 112.02 14.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.763 1.225 . . . . 0.0 111.39 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -115.7 128.2 55.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.988 1.315 . . . . 0.0 112.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 58.74 96.58 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.56 2.344 . . . . 0.0 115.418 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -126.96 111.49 14.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.957 1.303 . . . . 0.0 111.234 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.44 120.41 41.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.89 1.676 . . . . 0.0 110.632 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.13 108.27 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.268 1.427 . . . . 0.0 110.444 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.43 174.96 7.44 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.714 1.605 . . . . 0.0 111.809 173.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.95 125.08 0.91 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.486 2.314 . . . . 0.0 114.369 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.99 -177.1 5.84 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -167.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.61 163.9 27.32 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 -165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 41.9 t0 58.01 81.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.408 2.283 . . . . 0.0 113.0 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.49 123.04 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.842 1.257 . . . . 0.0 111.562 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.32 64.87 Favored Glycine 0 CA--C 1.535 1.336 0 O-C-N 121.49 -0.757 . . . . 0.0 112.629 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -155.26 135.34 13.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.675 0.79 . . . . 0.0 112.524 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -99.4 132.03 45.01 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.244 1.418 . . . . 0.0 112.887 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -132.37 114.36 14.27 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.861 0.864 . . . . 0.0 111.38 169.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.08 96.63 0.02 OUTLIER Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.803 1.668 . . . . 0.0 115.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.77 141.46 31.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 171.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 mm -144.91 138.47 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 120.96 -1.088 . . . . 0.0 112.628 -170.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -107.68 122.38 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 108.242 154.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.32 140.2 6.0 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.68 -42.32 82.31 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.676 -0.897 . . . . 0.0 112.155 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -126.36 124.43 40.22 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.169 1.788 . . . . 0.0 111.725 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.73 112.01 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.084 1.354 . . . . 0.0 110.496 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.76 96.61 Favored Glycine 0 CA--C 1.538 1.493 0 O-C-N 121.295 -0.878 . . . . 0.0 113.842 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.95 153.59 16.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 121.551 -0.97 . . . . 0.0 114.427 170.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.23 130.03 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.1 0.96 . . . . 0.0 112.656 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.86 125.32 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.733 1.213 . . . . 0.0 111.257 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.62 115.37 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.83 1.252 . . . . 0.0 110.275 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.213 1.005 . . . . 0.0 112.996 177.326 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.17 130.77 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.008 1.323 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -131.61 122.46 26.07 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.058 1.343 . . . . 0.0 111.747 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -128.66 129.93 46.51 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.172 1.389 . . . . 0.0 112.66 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 56.6 85.35 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.23 2.212 . . . . 0.0 114.757 174.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -112.08 119.26 37.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.568 1.147 . . . . 0.0 111.09 171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.16 120.11 40.11 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.488 1.515 . . . . 0.0 110.183 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.28 108.4 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.058 1.343 . . . . 0.0 110.097 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.19 175.27 10.77 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -36.73 125.62 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.443 2.297 . . . . 0.0 114.077 -167.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.82 177.84 8.39 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -167.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.05 163.31 25.0 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 51.0 t0 60.77 82.96 0.15 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.553 2.341 . . . . 0.0 113.275 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 36.5 t -130.47 123.26 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.879 1.271 . . . . 0.0 112.061 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.55 44.7 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.207 -0.933 . . . . 0.0 113.32 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -154.02 135.43 14.19 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.098 0.949 . . . . 0.0 112.759 167.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -99.48 133.75 43.35 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.051 1.34 . . . . 0.0 114.125 165.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -123.81 118.27 26.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.356 0.662 . . . . 0.0 110.83 155.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.65 87.74 0.08 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.299 1.428 . . . . 0.0 113.92 172.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 117.05 10.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.184 0.593 . . . . 0.0 112.4 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.434 ' C ' HD12 ' H' ' 31' ' ' ILE . 0.7 OUTLIER -139.14 158.85 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -173.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.18 131.16 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 126.437 1.895 . . . . 0.0 112.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.07 174.92 44.21 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 116.162 1.225 . . . . 0.0 116.162 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 tp -85.82 -46.7 10.4 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.52 -0.988 . . . . 0.0 112.473 172.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.0 ttm -132.56 123.01 25.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.993 1.317 . . . . 0.0 111.433 -172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -132.53 135.83 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.532 1.133 . . . . 0.0 111.055 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.48 -129.28 0.25 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.695 0.664 . . . . 0.0 112.134 167.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.06 138.88 24.2 Favored Glycine 0 CA--C 1.54 1.609 0 O-C-N 121.24 -1.153 . . . . 0.0 114.039 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.08 115.72 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.059 1.344 . . . . 0.0 110.905 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.86 126.05 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.293 1.437 . . . . 0.0 111.732 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.59 119.38 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 125.1 1.36 . . . . 0.0 110.18 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.754 1.221 . . . . 0.0 113.595 -178.376 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.1 127.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.884 1.274 . . . . 0.0 111.364 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -129.37 116.94 19.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.065 1.346 . . . . 0.0 111.432 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -131.45 124.6 30.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.297 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 58.51 85.55 0.09 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.097 2.159 . . . . 0.0 114.604 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -111.79 116.66 31.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.057 1.343 . . . . 0.0 111.47 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.94 123.75 51.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.567 1.547 . . . . 0.0 110.884 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.58 112.73 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.45 1.5 . . . . 0.0 110.948 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -84.31 175.22 9.54 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.162 0.985 . . . . 0.0 113.509 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -36.57 127.69 0.82 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 114.306 -167.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.03 176.99 9.15 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -169.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.19 163.22 20.8 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -166.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 55.5 t0 60.15 84.46 0.12 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.397 2.279 . . . . 0.0 113.534 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.86 124.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.772 1.229 . . . . 0.0 111.481 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.15 -57.77 14.26 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 121.33 -0.856 . . . . 0.0 112.565 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -144.54 135.48 25.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 167.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -99.44 130.34 45.69 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.45 1.1 . . . . 0.0 113.382 165.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.16 115.49 18.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.686 0.794 . . . . 0.0 110.948 162.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.58 85.78 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.314 0.959 . . . . 0.0 114.465 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.1 115.07 8.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.418 HD12 ' C ' ' I' ' 31' ' ' ILE . 0.9 OUTLIER -135.42 158.66 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -172.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.68 125.39 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.402 1.481 . . . . 0.0 110.185 165.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.31 114.08 0.6 Allowed Glycine 0 N--CA 1.469 0.884 0 CA-C-O 118.477 -1.179 . . . . 0.0 111.849 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.37 -40.72 97.37 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.42 2.11 . . . . 0.0 112.508 -174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -120.64 126.22 49.7 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.342 1.857 . . . . 0.0 110.064 168.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.77 140.29 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.816 0.846 . . . . 0.0 112.441 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.68 -135.77 0.3 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.612 1.101 . . . . 0.0 112.968 168.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.07 126.89 9.78 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 121.459 -1.024 . . . . 0.0 113.654 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 t -105.26 115.2 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.972 1.709 . . . . 0.0 109.137 170.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.87 121.28 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.948 0.899 . . . . 0.0 111.46 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.55 113.46 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.349 1.46 . . . . 0.0 109.727 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.373 1.069 . . . . 0.0 112.875 176.686 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.49 0.186 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -118.39 129.66 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.02 1.328 . . . . 0.0 111.051 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -128.81 138.58 52.15 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.033 1.333 . . . . 0.0 113.972 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -132.45 129.96 39.93 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.682 1.593 . . . . 0.0 112.512 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 55.07 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.786 2.834 . . . . 0.0 116.294 172.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -118.02 127.43 53.8 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.916 1.287 . . . . 0.0 111.023 166.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tt -128.03 118.34 23.33 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 0.0 110.19 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.08 111.37 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.475 1.51 . . . . 0.0 111.183 -174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.78 175.28 10.57 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.6 129.45 0.78 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 128.455 2.702 . . . . 0.0 114.581 -167.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.06 178.07 8.32 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -169.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.03 163.85 23.73 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -166.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 55.3 t0 59.71 84.07 0.12 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.549 2.339 . . . . 0.0 113.652 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 t -128.86 122.92 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.662 1.185 . . . . 0.0 111.754 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.52 -47.32 79.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.171 -0.955 . . . . 0.0 113.545 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -155.11 135.34 13.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.721 -0.87 . . . . 0.0 111.875 164.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -99.46 129.55 45.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.62 1.168 . . . . 0.0 113.809 167.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -123.23 115.47 21.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.11 0.964 . . . . 0.0 110.892 161.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.26 86.36 0.09 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.523 1.058 . . . . 0.0 114.596 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.87 115.88 7.86 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.423 ' C ' HD12 ' J' ' 31' ' ' ILE . 0.9 OUTLIER -134.33 158.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.24 134.07 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.66 1.184 . . . . 0.0 112.125 166.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.04 137.58 4.56 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 114.495 0.558 . . . . 0.0 114.495 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.41 -39.3 85.52 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.264 1.032 . . . . 0.0 112.613 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 54.7 mtm -130.83 120.9 24.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.271 1.828 . . . . 0.0 110.655 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.36 127.4 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.636 0.774 . . . . 0.0 111.592 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.73 7.49 79.39 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.641 1.816 . . . . 0.0 117.641 -169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.12 134.73 1.72 Allowed Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.184 1.373 . . . . 0.0 113.898 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.41 117.4 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.109 1.363 . . . . 0.0 110.792 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 32.1 t -123.71 119.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.712 1.205 . . . . 0.0 110.773 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.73 112.79 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.292 1.437 . . . . 0.0 109.808 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 C-N-CA 124.324 1.05 . . . . 0.0 112.483 176.194 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.24 124.63 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.086 0.954 . . . . 0.0 110.329 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -128.5 132.79 48.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.749 1.62 . . . . 0.0 112.27 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -131.67 125.8 33.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 112.35 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 57.57 112.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 128.07 2.548 . . . . 0.0 116.268 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -139.34 116.55 11.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.174 1.39 . . . . 0.0 110.629 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.61 120.57 37.08 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.876 1.67 . . . . 0.0 110.44 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.7 t -131.02 112.88 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.966 1.307 . . . . 0.0 111.544 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.84 175.21 9.27 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -36.69 128.4 0.83 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 128.859 2.864 . . . . 0.0 114.532 -169.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.7 176.18 9.74 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -168.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.92 164.94 22.73 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -165.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 53.3 t0 60.96 84.22 0.13 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.583 2.353 . . . . 0.0 113.529 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.89 126.63 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.468 1.507 . . . . 0.0 111.683 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -54.42 32.04 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.25 -0.906 . . . . 0.0 113.49 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -157.97 135.62 10.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.495 1.118 . . . . 0.0 112.365 168.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -99.25 135.48 40.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -128.38 114.2 16.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.966 0.906 . . . . 0.0 110.625 163.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.17 92.93 0.02 OUTLIER Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.626 1.108 . . . . 0.0 114.62 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.98 116.54 7.08 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 117.979 0.889 . . . . 0.0 112.888 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.507 HG13 HG23 ' L' ' 31' ' ' ILE . 0.1 OUTLIER -134.31 158.71 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 136.93 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.663 1.185 . . . . 0.0 112.37 166.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.9 137.73 3.84 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -36.45 76.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 122.021 -0.693 . . . . 0.0 112.672 -173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtm -135.58 71.35 1.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.988 1.315 . . . . 0.0 113.052 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.652 ' C ' HG21 ' L' ' 36' ' ' VAL . 54.6 t -103.96 108.8 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 117.758 2.503 . . . . 0.0 117.758 -176.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.446 ' N ' HG21 ' L' ' 36' ' ' VAL . . . -87.63 160.75 31.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 120.405 -1.435 . . . . 0.0 115.748 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.9 68.78 0.79 Allowed Glycine 0 CA--C 1.529 0.922 0 C-N-CA 126.976 2.227 . . . . 0.0 114.558 166.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -99.61 115.5 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.884 . . . . 0.0 110.001 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.29 117.38 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.675 1.59 . . . . 0.0 110.172 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -126.87 112.34 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.709 1.204 . . . . 0.0 110.007 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.98 0.912 . . . . 0.0 112.912 178.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.53 128.33 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.813 1.245 . . . . 0.0 110.653 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -131.92 142.89 49.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.208 1.403 . . . . 0.0 112.622 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -138.76 138.19 37.4 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.133 1.373 . . . . 0.0 112.332 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 55.32 61.33 2.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.242 1.817 . . . . 0.0 114.631 170.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -92.82 133.28 36.22 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.828 1.251 . . . . 0.0 111.79 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 tt -133.96 123.64 24.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.639 1.976 . . . . 0.0 110.828 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.56 123.28 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.007 1.323 . . . . 0.0 111.133 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -97.49 175.05 6.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.348 1.459 . . . . 0.0 113.73 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -36.73 139.96 0.17 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.446 2.698 . . . . 0.0 117.997 -166.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.18 172.68 13.2 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 116.231 1.938 . . . . 0.0 116.231 -170.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.84 167.22 21.4 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.938 2.095 . . . . 0.0 115.663 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t0 61.33 90.31 0.07 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.213 2.605 . . . . 0.0 113.727 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.68 141.78 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.578 1.551 . . . . 0.0 112.09 -173.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.12 -110.73 0.03 OUTLIER Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.237 1.398 . . . . 0.0 112.063 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 47.7 m -102.68 135.04 45.06 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.607 1.203 . . . . 0.0 111.023 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.3 139.82 34.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.676 1.59 . . . . 0.0 113.514 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -136.23 129.44 31.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.654 0.782 . . . . 0.0 112.614 166.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.62 35.47 91.97 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.455 1.342 . . . . 0.0 116.455 166.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.01 112.36 24.11 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.618 1.209 . . . . 0.0 111.117 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.507 HG23 HG13 ' K' ' 31' ' ' ILE . 10.4 mm -134.49 151.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.659 1.184 . . . . 0.0 112.171 -167.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.96 132.04 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.985 1.314 . . . . 0.0 112.66 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.82 141.95 6.95 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.85 1.214 . . . . 0.0 114.182 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -85.81 -48.68 8.55 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 116.021 1.859 . . . . 0.0 116.021 -165.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 19.5 mtp -135.08 62.23 1.65 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.829 1.651 . . . . 0.0 111.583 -166.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.652 HG21 ' C ' ' K' ' 36' ' ' VAL . 4.6 p -148.38 158.19 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 119.647 3.203 . . . . 0.0 119.647 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.486 ' H ' HG22 ' L' ' 36' ' ' VAL . . . -105.23 144.08 15.74 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.29 106.92 0.77 Allowed Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.324 1.916 . . . . 0.0 116.622 166.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.0 119.63 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 125.977 1.711 . . . . 0.0 111.645 170.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 t -124.01 118.46 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.733 2.013 . . . . 0.0 110.306 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -130.62 131.22 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.45 1.1 . . . . 0.0 110.497 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.354 1.462 . . . . 0.0 113.1 177.489 . . . . . . . . 0 0 . 1 stop_ save_